TL;DR: [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate (CAS 1003990-05-3) is a chemical compound with molecular formula C16H16ClNO3S and molecular weight 337.05396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
Also Known As: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate|F6609-4168|{[2-(4-CHLOROPHENYL)ETHYL]CARBAMOYL}METHYL 5-METHYLTHIOPHENE-2-CARBOXYLATE|2-((4-chlorophenethyl)amino)-2-oxoethyl 5-methylthiophene-2-carboxylate|2-{[2-(4-chlorophenyl)ethyl]amino}-2-oxoethyl 5-methylthiophene-2-carboxylate|STL195268
| Molecular Formula | C16H16ClNO3S |
| Molecular Weight | 337.05396 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.05396 Da |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
| SMILES | CC1=CC=C(S1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)Cl |
| InChIKey | JUDAPSIJACHEMT-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate 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-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is 1003990-05-3.
The molecular formula of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is C16H16ClNO3S.
The molecular weight of [2-[2-(4-Chlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate is 337.05396 g/mol.
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