TL;DR: 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro- (CAS 146795-26-8) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.03613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methoxyphenyl)-5-nitrothiophene-3-carboxamide
Also Known As: N-(4-Methoxyphenyl)-5-nitro-3-thiophenecarboxamide, 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro-, N-(4-Methoxyphenyl)-5-nitrothiophene-3-carboxamide, 3-Thiophenecarboxamide,N-(4-methoxyphenyl)-5-nitro-, N-(4-Methoxyphenyl)-5-nitro-3-thiophenecarboxamide #
| Molecular Formula | C12H10N2O4S |
| Molecular Weight | 278.03613 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.03613 Da |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)C2=CSC(=C2)[N+](=O)[O-] |
| InChIKey | AGMLIICQHWMQGU-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro-. Following Lipinski's Rule of Five, 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro- is 146795-26-8.
The molecular formula of 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro- is C12H10N2O4S.
The molecular weight of 3-Thiophenecarboxamide, N-(4-methoxyphenyl)-5-nitro- is 278.03613 g/mol.
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