TL;DR: 2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CAS 1022904-31-9) is a chemical compound with molecular formula C23H20FN3O2S2 and molecular weight 453.09808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-(1-benzyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide, 2-[1-benzyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-{1-BENZYL-5-OXO-2-SULFANYLIDENE-3-[(THIOPHEN-2-YL)METHYL]IMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE
| Molecular Formula | C23H20FN3O2S2 |
| Molecular Weight | 453.09808 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.09808 Da |
| Heavy Atoms | 31 |
| Complexity | 665.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(N(C2=S)CC3=CC=CS3)CC(=O)NC4=CC=C(C=C4)F |
| InChIKey | ANTMAISSEMRPIJ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-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-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is 1022904-31-9.
The molecular formula of 2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is C23H20FN3O2S2.
The molecular weight of 2-[1-benzyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is 453.09808 g/mol.
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