N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide

C19H20N2O3S — CID 110325936

IUPACN-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CCNS(=O)(=O)Cc3ccccc3)cc2c1
InChIInChI=1S/C19H20N2O3S/c1-14-7-8-18-17(11-14)12-16(19(22)21-18)9-10-20-25(23,24)13-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3,(H,21,22)
InChIKeyPDYLUCCNNOJBGL-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.50
Rot. Bonds6

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

N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 110325936) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID110325936
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CCNS(=O)(=O)Cc3ccccc3)cc2c1
InChIInChI=1S/C19H20N2O3S/c1-14-7-8-18-17(11-14)12-16(19(22)21-18)9-10-20-25(23,24)13-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3,(H,21,22)
InChIKeyPDYLUCCNNOJBGL-UHFFFAOYSA-N
XLogP2.50
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324721
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325922
1-(2-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]methanesulfonamide
CID 110325870
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326437
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110326439
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110326441
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
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-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide (CID 110325936) is N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide is Cc1ccc2[nH]c(=O)c(CCNS(=O)(=O)Cc3ccccc3)cc2c1.
What is the InChIKey of N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is PDYLUCCNNOJBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14-7-8-18-17(11-14)12-16(19(22)21-18)9-10-20-25(23,24)13-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10,13H2,1H3,(H,21,22).
What are the key properties of N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide?
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110325936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).