TL;DR: N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide (CAS 1020053-62-6) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
Also Known As: N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide, N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide, F0561-0115, N-[2-(2,3-dimethylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
| Molecular Formula | C22H23N3O2S |
| Molecular Weight | 393.1511 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1511 Da |
| Heavy Atoms | 28 |
| Complexity | 580.0 |
| SMILES | CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)CCC4=CC=CC=C4)C |
| InChIKey | RNMPWUVDEAEJPE-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide 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-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide is 1020053-62-6.
The molecular formula of N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide is C22H23N3O2S.
The molecular weight of N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3-phenylpropanamide is 393.1511 g/mol.
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