TL;DR: 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride (CAS 133628-23-6) is a chemical compound with molecular formula C10H16ClN3O3S and molecular weight 293.0601 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide;hydrochloride
Also Known As: 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride, 2-Methyl-N-(2-(dimethylamino)ethyl)-3-nitrothiophene-5-carboxamide hydrochloride, N-(2-(Dimethylamino)ethyl)-5-methyl-4-nitro-2-thiophenecarboxamide monohydrochloride, N-(2-dimethylaminoethyl)-5-methyl-4-nitrothiophene-2-carboxamide hydrochloride, N-[2-(Dimethylamino)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide--hydrogen chloride (1/1)
| Molecular Formula | C10H16ClN3O3S |
| Molecular Weight | 293.0601 g/mol |
| XLogP | 1.67792 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.0601 Da |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
| SMILES | CC1=C(C=C(S1)C(=O)NCCN(C)C)[N+](=O)[O-].Cl |
| InChIKey | XUNZJLQUQGSGIH-UHFFFAOYSA-N |
The XLogP value of 1.67792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride. Following Lipinski's Rule of Five, 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride has 2 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 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride is 133628-23-6.
The molecular formula of 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride is C10H16ClN3O3S.
The molecular weight of 2-Thiophenecarboxamide, N-(2-(dimethylamino)ethyl)-5-methyl-4-nitro-, monohydrochloride is 293.0601 g/mol.
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