TL;DR: N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide (CAS 450350-77-3) is a chemical compound with molecular formula C23H28N2O3S and molecular weight 412.18207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-propylindol-3-yl)sulfanylacetamide
Also Known As: F0545-1217, N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-propyl-1H-indol-3-yl)sulfanyl]acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-propylindol-3-yl)sulfanylacetamide, N-[2-(3,4-dimethoxyphenyl)ethyl](1-propyl-3-indolylthio)acetamide
| Molecular Formula | C23H28N2O3S |
| Molecular Weight | 412.18207 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 412.18207 Da |
| Heavy Atoms | 29 |
| Complexity | 507.0 |
| SMILES | CCCN1C=C(C2=CC=CC=C21)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC |
| InChIKey | XIXXLOYSXBCNSR-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide is 450350-77-3.
The molecular formula of N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide is C23H28N2O3S.
The molecular weight of N-(3,4-dimethoxyphenethyl)-2-((1-propyl-1H-indol-3-yl)thio)acetamide is 412.18207 g/mol.
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