TL;DR: 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)- (CAS 146795-45-1) is a chemical compound with molecular formula C11H7N3O5S and molecular weight 293.01065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-N-(3-nitrophenyl)thiophene-3-carboxamide
Also Known As: 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)-, 5-Nitro-N-(3-nitrophenyl)-3-thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)thiophene-3-carboxamide, N-(3-Nitrophenyl)-5-nitro-3-thiophenecarboxamide, CCRIS 6455
| Molecular Formula | C11H7N3O5S |
| Molecular Weight | 293.01065 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.01065 Da |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=CSC(=C2)[N+](=O)[O-] |
| InChIKey | YWHOUKGQMYSICD-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)-. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)- is 146795-45-1.
The molecular formula of 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)- is C11H7N3O5S.
The molecular weight of 3-Thiophenecarboxamide, 5-nitro-N-(3-nitrophenyl)- is 293.01065 g/mol.
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