TL;DR: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 1008274-12-1) is a chemical compound with molecular formula C17H21N3O4S and molecular weight 363.12527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 2-((3,5-dimethylisoxazol-4-yl)sulfonyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
| Molecular Formula | C17H21N3O4S |
| Molecular Weight | 363.12527 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.12527 Da |
| Heavy Atoms | 25 |
| Complexity | 604.0 |
| SMILES | CC1=C(C(=NO1)C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N(C)C |
| InChIKey | FYVSQDYMNJLMRV-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has 0 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 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 1008274-12-1.
The molecular formula of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is C17H21N3O4S.
The molecular weight of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is 363.12527 g/mol.
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