TL;DR: 2-{[2-(4-Chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide (CAS 815624-76-1) is a chemical compound with molecular formula C16H17ClN2O3S and molecular weight 352.06485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenoxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
Also Known As: BAS 12738418, AN-329/43341846, 2-{[2-(4-chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide, 2-[2-(4-chlorophenoxy)propanoylamino]-4,5-dimethylthiophene-3-carboxamide, 2-{[2-(4-chlorophenoxy)propanoyl]amino}-4,5-dimethylthiophene-3-carboxamide
| Molecular Formula | C16H17ClN2O3S |
| Molecular Weight | 352.06485 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.06485 Da |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C(C)OC2=CC=C(C=C2)Cl)C |
| InChIKey | BVMMLJZOFXTDTE-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-{[2-(4-Chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide. Following Lipinski's Rule of Five, 2-{[2-(4-Chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide 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 2-{[2-(4-Chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide is 815624-76-1.
The molecular formula of 2-{[2-(4-Chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide is C16H17ClN2O3S.
The molecular weight of 2-{[2-(4-Chlorophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide is 352.06485 g/mol.
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