TL;DR: 2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CAS 1008002-91-2) is a chemical compound with molecular formula C21H21F2N3O2S and molecular weight 417.13226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-{1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide, 2-{1-ETHYL-3-[2-(2-FLUOROPHENYL)ETHYL]-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE
| Molecular Formula | C21H21F2N3O2S |
| Molecular Weight | 417.13226 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.13226 Da |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
| SMILES | CCN1C(=O)C(N(C1=S)CCC2=CC=CC=C2F)CC(=O)NC3=CC=C(C=C3)F |
| InChIKey | COEHMCVTALJOFL-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)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-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is 1008002-91-2.
The molecular formula of 2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is C21H21F2N3O2S.
The molecular weight of 2-[1-ethyl-3-[2-(2-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is 417.13226 g/mol.
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