N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide

C20H22N2O3S — CID 110324721

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccc2[nH]c(=O)c(CNS(=O)(=O)CCCc3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O3S/c1-15-9-10-19-17(12-15)13-18(20(23)22-19)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyWSNJZBXGVLARGW-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.89
Rot. Bonds7

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110324721) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110324721
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ccc2[nH]c(=O)c(CNS(=O)(=O)CCCc3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O3S/c1-15-9-10-19-17(12-15)13-18(20(23)22-19)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23)
InChIKeyWSNJZBXGVLARGW-UHFFFAOYSA-N
XLogP2.89
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
N-[(2-oxo-6-propan-2-yl-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110325614
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
2-cyano-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110414664
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-phenylethanesulfonamide
CID 110324486
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110325820
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110324721) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide is Cc1ccc2[nH]c(=O)c(CNS(=O)(=O)CCCc3ccccc3)cc2c1.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is WSNJZBXGVLARGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-9-10-19-17(12-15)13-18(20(23)22-19)14-21-26(24,25)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,21H,5,8,11,14H2,1H3,(H,22,23).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110324721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).