TL;DR: N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide (CAS 957503-94-5) is a chemical compound with molecular formula C20H20N4O5S and molecular weight 428.11545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide
Also Known As: N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide, N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl]-3-methoxybenzamide, N-(5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl)-3-methoxybenzamide, N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxo-1-imidazolidinyl]-3-methoxybenzamide
| Molecular Formula | C20H20N4O5S |
| Molecular Weight | 428.11545 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.11545 Da |
| Heavy Atoms | 30 |
| Complexity | 682.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)NC(=O)C3=CC(=CC=C3)OC)CC(=O)N |
| InChIKey | NRJSABLKSMYZMF-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide. The TPSA of 146.0 Ų indicates high polarity, suggesting N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide is 957503-94-5.
The molecular formula of N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide is C20H20N4O5S.
The molecular weight of N-[5-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-methoxybenzamide is 428.11545 g/mol.
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