2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

C29H24N4O3S — CID 70789403

IUPAC2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c3ccccc3n2)cc1C
InChIInChI=1S/C29H24N4O3S/c1-19-10-11-21(17-20(19)2)27-18-25(24-7-3-4-8-26(24)32-27)29(34)31-22-12-14-23(15-13-22)37(35,36)33-28-9-5-6-16-30-28/h3-18H,1-2H3,(H,30,33)(H,31,34)
InChIKeyGYWAGYSOIJJPIU-UHFFFAOYSA-N
MW508.60 g/mol
LogP5.97
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 70789403) has the molecular formula C29H24N4O3S and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID70789403
Molecular FormulaC29H24N4O3S
Molecular Weight508.60 g/mol
Exact Mass508.16
IUPAC Name2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c3ccccc3n2)cc1C
InChIInChI=1S/C29H24N4O3S/c1-19-10-11-21(17-20(19)2)27-18-25(24-7-3-4-8-26(24)32-27)29(34)31-22-12-14-23(15-13-22)37(35,36)33-28-9-5-6-16-30-28/h3-18H,1-2H3,(H,30,33)(H,31,34)
InChIKeyGYWAGYSOIJJPIU-UHFFFAOYSA-N
XLogP5.97
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(isoquinolin-1-yl)-4-methyl-3-(piperidin-1-ylsulfonyl)benzamide
CID 44446802
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
2-phenyl-N-(pyridin-2-ylcarbamothioyl)quinoline-4-carboxamide
CID 996677
4-tert-butyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide
CID 1009382
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 1009542
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 1306259
2-pyridin-4-yl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
CID 2385808
(E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 10323469
(E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]but-2-enamide
CID 44304949
(E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide
CID 44304983
N-[3-(3-aminoisoquinolin-7-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 71115245

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 70789403) is 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is GYWAGYSOIJJPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3S/c1-19-10-11-21(17-20(19)2)27-18-25(24-7-3-4-8-26(24)32-27)29(34)31-22-12-14-23(15-13-22)37(35,36)33-28-9-5-6-16-30-28/h3-18H,1-2H3,(H,30,33)(H,31,34).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 70789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).