4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide

C24H22N2O3S — CID 1263687

IUPAC4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-17-11-13-22(14-12-17)30(28,29)26(21-9-4-3-5-10-21)16-20-15-19-8-6-7-18(2)23(19)25-24(20)27/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyLJFPBQUUYGNYGL-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.54
Rot. Bonds5

About 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide

4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 1263687) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide
PubChem CID1263687
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-17-11-13-22(14-12-17)30(28,29)26(21-9-4-3-5-10-21)16-20-15-19-8-6-7-18(2)23(19)25-24(20)27/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyLJFPBQUUYGNYGL-UHFFFAOYSA-N
XLogP4.54
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
N-(3-acetamidophenyl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 2482626
4-(Pyrrolidine-1-sulfonyl)-N-o-tolyl-benzamide
CID 3147990
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
N-(1-benzylpiperidin-4-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4783068
N-benzyl-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4789349
1-(2,4-dimethylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 45741848
4-cyano-N-(1-ethyl-3-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918735
N-Phenethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 7824621
N-(7,8-Dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-N-(2-hydroxy-ethyl)-4-methyl-benzenesulfonamide
CID 654828

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide (CID 1263687) is 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is LJFPBQUUYGNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-17-11-13-22(14-12-17)30(28,29)26(21-9-4-3-5-10-21)16-20-15-19-8-6-7-18(2)23(19)25-24(20)27/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide?
4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1263687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).