TL;DR: N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide (CAS 1008924-61-5) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
Also Known As: N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide, N-(4-ethylphenyl)-2-(3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl)acetamide, N-(4-Ethyl-phenyl)-2-(3-oxo-1-phenylthiocarbamoyl-piperazin-2-yl)-acetamide, N-(4-ethylphenyl)-2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetami de
| Molecular Formula | C21H24N4O2S |
| Molecular Weight | 396.162 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.162 Da |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
| SMILES | CCC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3 |
| InChIKey | GGKVIUFFDYCIIY-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide. Following Lipinski's Rule of Five, N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide has 3 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 N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide is 1008924-61-5.
The molecular formula of N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide is C21H24N4O2S.
The molecular weight of N-(4-ethylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide is 396.162 g/mol.
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