TL;DR: 2-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide (CAS 1008050-96-1) is a chemical compound with molecular formula C14H14ClN3O2S and molecular weight 323.04953 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)-2-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)acetamide
Also Known As: 2-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide, F1124-0034, N-(4-chlorophenyl)-2-(5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl)acetamide, N-(4-CHLOROPHENYL)-2-[5-OXO-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDE, N-(4-chlorophenyl)-2-(5-oxo-1-prop-2-enyl-2-thioxo(1,3-diazolidin-4-yl))acetam ide
| Molecular Formula | C14H14ClN3O2S |
| Molecular Weight | 323.04953 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.04953 Da |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
| SMILES | C=CCN1C(=O)C(NC1=S)CC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | NKZNSARNRMHFGZ-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide 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-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide is 1008050-96-1.
The molecular formula of 2-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide is C14H14ClN3O2S.
The molecular weight of 2-(1-allyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-chlorophenyl)acetamide is 323.04953 g/mol.
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