TL;DR: 5-Ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid (CAS 380645-32-9) is a chemical compound with molecular formula C15H15NO3S and molecular weight 289.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
Also Known As: 5-ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid, 5-ethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic Acid, AE-848/13424345, 5-ethyl-2-(2-methylbenzamido)thiophene-3-carboxylicacid, 5-ethyl-2-[(2-methylbenzene)amido]thiophene-3-carboxylic acid
| Molecular Formula | C15H15NO3S |
| Molecular Weight | 289.07727 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.07727 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2C)C(=O)O |
| InChIKey | NMQDCEOFECGROZ-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 5-Ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid has 2 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 5-Ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid is 380645-32-9.
The molecular formula of 5-Ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid is C15H15NO3S.
The molecular weight of 5-Ethyl-2-(2-methylbenzamido)thiophene-3-carboxylic acid is 289.07727 g/mol.
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