TL;DR: N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide (CAS 850243-09-3) is a chemical compound with molecular formula C20H16FN3O2S and molecular weight 381.09473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(3-fluoro-4-methyl-phenyl)-2-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]acetamide, N-(3-fluoro-4-methylphenyl)-2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetamide, N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetamide, N-(3-fluoranyl-4-methyl-phenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanamide
| Molecular Formula | C20H16FN3O2S |
| Molecular Weight | 381.09473 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.09473 Da |
| Heavy Atoms | 27 |
| Complexity | 539.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2OC4=CC=CC=C43)C)F |
| InChIKey | TXABQNWRMRXOQC-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide has 1 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-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is 850243-09-3.
The molecular formula of N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is C20H16FN3O2S.
The molecular weight of N-(3-fluoro-4-methylphenyl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is 381.09473 g/mol.
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