TL;DR: Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- (CAS 111752-78-4) is a chemical compound with molecular formula C16H16N2OS and molecular weight 284.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-phenylethylcarbamothioyl)benzamide
Also Known As: N-(1-phenylethylcarbamothioyl)benzamide, N-benzoyl-N'-(1-phenylethyl)thiourea, Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-, N-[(1-phenylethyl)carbamothioyl]benzamide, N-((1-Phenylethyl)carbamothioyl)benzamide
| Molecular Formula | C16H16N2OS |
| Molecular Weight | 284.09833 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.09833 Da |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
| SMILES | CC(C1=CC=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2 |
| InChIKey | LFNTYAFRRGFAEV-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]-. Following Lipinski's Rule of Five, Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is 111752-78-4.
The molecular formula of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is C16H16N2OS.
The molecular weight of Benzamide, N-[[(1-phenylethyl)amino]thioxomethyl]- is 284.09833 g/mol.
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