TL;DR: 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 688336-59-6) is a chemical compound with molecular formula C20H18F3N3O2S and molecular weight 421.10718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide, F0599-0363, 2-((1-(4-ethoxyphenyl)-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-{[1-(4-ethoxyphenyl)-1H-imidazol-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H18F3N3O2S |
| Molecular Weight | 421.10718 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.10718 Da |
| Heavy Atoms | 29 |
| Complexity | 530.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
| InChIKey | OLXGXFYXBSHBIK-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is 688336-59-6.
The molecular formula of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is C20H18F3N3O2S.
The molecular weight of 2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is 421.10718 g/mol.
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