1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide

C24H21N3O4S — CID 55787470

IUPAC1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)cc2)cc1
InChIInChI=1S/C24H21N3O4S/c1-16-7-13-19(14-8-16)32(30,31)26-18-11-9-17(10-12-18)25-24(29)21-15-23(28)27(2)22-6-4-3-5-20(21)22/h3-15,26H,1-2H3,(H,25,29)
InChIKeyRKDUQKLZPFTGJS-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.90
Rot. Bonds5

About 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide (PubChem CID 55787470) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
PubChem CID55787470
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)cc2)cc1
InChIInChI=1S/C24H21N3O4S/c1-16-7-13-19(14-8-16)32(30,31)26-18-11-9-17(10-12-18)25-24(29)21-15-23(28)27(2)22-6-4-3-5-20(21)22/h3-15,26H,1-2H3,(H,25,29)
InChIKeyRKDUQKLZPFTGJS-UHFFFAOYSA-N
XLogP3.90
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000
1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786897
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786997
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55787078
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-methylsulfanylbenzamide
CID 126415790
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide (CID 55787470) is 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(=O)n(C)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is RKDUQKLZPFTGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-16-7-13-19(14-8-16)32(30,31)26-18-11-9-17(10-12-18)25-24(29)21-15-23(28)27(2)22-6-4-3-5-20(21)22/h3-15,26H,1-2H3,(H,25,29).
What are the key properties of 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55787470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).