TL;DR: 2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CAS 1009520-64-2) is a chemical compound with molecular formula C21H22FN3O3S and molecular weight 415.1366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-{3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide, 2-{3-[2-(2-FLUOROPHENYL)ETHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(4-METHOXYPHENYL)ACETAMIDE, 2-{3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C21H22FN3O3S |
| Molecular Weight | 415.1366 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.1366 Da |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
| SMILES | CN1C(=O)C(N(C1=S)CCC2=CC=CC=C2F)CC(=O)NC3=CC=C(C=C3)OC |
| InChIKey | NAIGSDXTECXYOS-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-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-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is 1009520-64-2.
The molecular formula of 2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is C21H22FN3O3S.
The molecular weight of 2-[3-[2-(2-fluorophenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is 415.1366 g/mol.
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