TL;DR: N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide (CAS 1005299-54-6) is a chemical compound with molecular formula C19H22N2O3S and molecular weight 358.1351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylpropanamide
Also Known As: N-[1-(benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl]-2-methylpropanamide, N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide, F2051-0071, N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylpropanamide
| Molecular Formula | C19H22N2O3S |
| Molecular Weight | 358.1351 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1351 Da |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
| SMILES | CC(C)C(=O)NC1=CC2=C(CCCN2S(=O)(=O)C3=CC=CC=C3)C=C1 |
| InChIKey | OHQDLCUDOZVSSJ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide. Following Lipinski's Rule of Five, N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide 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-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide is 1005299-54-6.
The molecular formula of N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide is C19H22N2O3S.
The molecular weight of N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)isobutyramide is 358.1351 g/mol.
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