TL;DR: N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide (CAS 1164459-74-8) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(4-methyl-2-nitrophenyl)-3-thiophen-2-ylprop-2-enamide
Also Known As: N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide, (E)-N-(4-methyl-2-nitrophenyl)-3-thiophen-2-ylprop-2-enamide, N-{2-nitro-4-methylphenyl}-3-(2-thienyl)acrylamide, (E)-N-(4-methyl-2-nitro-phenyl)-3-(2-thienyl)acrylamide, (2E)-N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)prop-2-enamide
| Molecular Formula | C14H12N2O3S |
| Molecular Weight | 288.05685 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05685 Da |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=CS2)[N+](=O)[O-] |
| InChIKey | QHMBPYUXAWTSBS-FNORWQNLSA-N |
The XLogP value of 3.3 indicates that N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide. Following Lipinski's Rule of Five, N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide 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 N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide is 1164459-74-8.
The molecular formula of N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide is C14H12N2O3S.
The molecular weight of N-(4-methyl-2-nitrophenyl)-3-(2-thienyl)acrylamide is 288.05685 g/mol.
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