TL;DR: 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide (CAS 1210833-54-7) is a chemical compound with molecular formula C19H20ClFN2O2S and molecular weight 394.0918 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide, 2-[[2-(2-chlorophenyl)sulfanylacetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide, N~2~-{[(2-Chlorophenyl)sulfanyl]acetyl}-N~2~-ethyl-N-[(4-fluorophenyl)methyl]glycinamide
| Molecular Formula | C19H20ClFN2O2S |
| Molecular Weight | 394.0918 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.0918 Da |
| Heavy Atoms | 26 |
| Complexity | 461.0 |
| SMILES | CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=CC=CC=C2Cl |
| InChIKey | XLZYXWCAIZYXKE-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide. Following Lipinski's Rule of Five, 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide is 1210833-54-7.
The molecular formula of 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide is C19H20ClFN2O2S.
The molecular weight of 2-[(2-Chlorophenyl)thio]-N-ethyl-N-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]acetamide is 394.0918 g/mol.
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