TL;DR: N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide (CAS 1042671-58-8) is a chemical compound with molecular formula C26H30N4O4S and molecular weight 494.1988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide
Also Known As: N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide, N-(4-ethoxyphenyl)-2-{1-ethyl-5-oxo-3-[4-(2-oxopyrrolidin-1-yl)benzyl]-2-thioxoimidazolidin-4-yl}acetamide, N-(4-ETHOXYPHENYL)-2-(1-ETHYL-5-OXO-3-{[4-(2-OXOPYRROLIDIN-1-YL)PHENYL]METHYL}-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL)ACETAMIDE
| Molecular Formula | C26H30N4O4S |
| Molecular Weight | 494.1988 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.1988 Da |
| Heavy Atoms | 35 |
| Complexity | 792.0 |
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)N3CCCC3=O)CC(=O)NC4=CC=C(C=C4)OCC |
| InChIKey | DEFPAAHCRCWTBL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide. Following Lipinski's Rule of Five, N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]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 N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide is 1042671-58-8.
The molecular formula of N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide is C26H30N4O4S.
The molecular weight of N-(4-ethoxyphenyl)-2-[1-ethyl-5-oxo-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-sulfanylideneimidazolidin-4-yl]acetamide is 494.1988 g/mol.
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