TL;DR: 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide (CAS 301194-12-7) is a chemical compound with molecular formula C22H26F2N2O2S2 and molecular weight 452.14038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide, 2-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylhexylsulfanyl]-N-(4-fluorophenyl)acetamide, N-(4-fluorophenyl)-2-{[6-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)hexyl]sulfanyl}acetamide, 2-((6-((2-(4-F-ANILINO)-2-OXOETHYL)THIO)HEXYL)THIO)-N-(4-FLUOROPHENYL)ACETAMIDE, 2-[(6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}hexyl)sulfanyl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C22H26F2N2O2S2 |
| Molecular Weight | 452.14038 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 452.14038 Da |
| Heavy Atoms | 30 |
| Complexity | 454.0 |
| SMILES | C1=CC(=CC=C1NC(=O)CSCCCCCCSCC(=O)NC2=CC=C(C=C2)F)F |
| InChIKey | FYFWVQMNYQGFMX-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide is 301194-12-7.
The molecular formula of 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide is C22H26F2N2O2S2.
The molecular weight of 2-((6-((2-(4-Fluoroanilino)-2-oxoethyl)sulfanyl)hexyl)sulfanyl)-N-(4-fluorophenyl)acetamide is 452.14038 g/mol.
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