TL;DR: 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CAS 1008695-15-5) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-[1-ethyl-5-oxo-3-(3-pyridinylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide, 2-{1-ETHYL-5-OXO-3-[(PYRIDIN-3-YL)METHYL]-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(4-METHOXYPHENYL)ACETAMIDE
| Molecular Formula | C20H22N4O3S |
| Molecular Weight | 398.14127 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.14127 Da |
| Heavy Atoms | 28 |
| Complexity | 580.0 |
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CN=CC=C2)CC(=O)NC3=CC=C(C=C3)OC |
| InChIKey | XBWYZBGGJKWPNL-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is 1008695-15-5.
The molecular formula of 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is C20H22N4O3S.
The molecular weight of 2-[1-ethyl-5-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is 398.14127 g/mol.
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