TL;DR: 2-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1024198-79-5) is a chemical compound with molecular formula C14H14N2O4S and molecular weight 306.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 2-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-((3-carbamoylthiophen-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[N-(3-carbamoyl-2-thienyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic ac id, 6-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic Acid
| Molecular Formula | C14H14N2O4S |
| Molecular Weight | 306.0674 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0674 Da |
| Heavy Atoms | 21 |
| Complexity | 521.0 |
| SMILES | C1C2C=CC1C(C2C(=O)NC3=C(C=CS3)C(=O)N)C(=O)O |
| InChIKey | YAVRKBRPBBRBBO-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid has 3 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-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 1024198-79-5.
The molecular formula of 2-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C14H14N2O4S.
The molecular weight of 2-[(3-carbamoylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 306.0674 g/mol.
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