TL;DR: 2-[(4-aminophenyl)thio]-N-benzylacetamide (CAS 1093946-38-3) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-aminophenyl)sulfanyl-N-benzylacetamide
Also Known As: 2-[(4-aminophenyl)thio]-N-benzylacetamide, 2-(4-aminophenyl)sulfanyl-N-benzylacetamide, 2-(4-aminophenylthio)-N-benzylacetamide, 2-[(4-aminophenyl)sulfanyl]-N-benzylacetamide, 2-(4-aminophenyl)sulfanyl-N-benzyl-acetamide
| Molecular Formula | C15H16N2OS |
| Molecular Weight | 272.09833 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.09833 Da |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=CC=C(C=C2)N |
| InChIKey | QZVGTHMVJJAQDJ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-aminophenyl)thio]-N-benzylacetamide. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-aminophenyl)thio]-N-benzylacetamide. Following Lipinski's Rule of Five, 2-[(4-aminophenyl)thio]-N-benzylacetamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(4-aminophenyl)thio]-N-benzylacetamide is 1093946-38-3.
The molecular formula of 2-[(4-aminophenyl)thio]-N-benzylacetamide is C15H16N2OS.
The molecular weight of 2-[(4-aminophenyl)thio]-N-benzylacetamide is 272.09833 g/mol.
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