TL;DR: 2-[(4-Methoxybenzoyl)carbamothioylamino]benzamide (CAS 140617-14-7) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
Also Known As: o-[3-(p-anisoyl)thioureido]benzamide, 2-[(4-methoxybenzoyl)carbamothioylamino]benzamide, AB00307970-02, F1201-0096, 2-({[(4-METHOXYPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)BENZAMIDE
| Molecular Formula | C16H15N3O3S |
| Molecular Weight | 329.0834 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0834 Da |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N |
| InChIKey | QFHUHWUWQLKPES-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methoxybenzoyl)carbamothioylamino]benzamide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Methoxybenzoyl)carbamothioylamino]benzamide. Following Lipinski's Rule of Five, 2-[(4-Methoxybenzoyl)carbamothioylamino]benzamide has 3 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 2-[(4-Methoxybenzoyl)carbamothioylamino]benzamide is 140617-14-7.
The molecular formula of 2-[(4-Methoxybenzoyl)carbamothioylamino]benzamide is C16H15N3O3S.
The molecular weight of 2-[(4-Methoxybenzoyl)carbamothioylamino]benzamide is 329.0834 g/mol.
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