2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

C27H21N5O3S — CID 1292635

IUPAC2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H21N5O3S/c1-18-7-9-19(10-8-18)25-17-23(22-5-2-3-6-24(22)31-25)26(33)30-20-11-13-21(14-12-20)36(34,35)32-27-28-15-4-16-29-27/h2-17H,1H3,(H,30,33)(H,28,29,32)
InChIKeyYDWYMPLCOUYNKF-UHFFFAOYSA-N
MW495.56 g/mol
LogP5.05
Rot. Bonds6

About 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 1292635) has the molecular formula C27H21N5O3S and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID1292635
Molecular FormulaC27H21N5O3S
Molecular Weight495.56 g/mol
Exact Mass495.14
IUPAC Name2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H21N5O3S/c1-18-7-9-19(10-8-18)25-17-23(22-5-2-3-6-24(22)31-25)26(33)30-20-11-13-21(14-12-20)36(34,35)32-27-28-15-4-16-29-27/h2-17H,1H3,(H,30,33)(H,28,29,32)
InChIKeyYDWYMPLCOUYNKF-UHFFFAOYSA-N
XLogP5.05
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
2-(1-ethylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 19518582
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4575874
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2375419
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 1292635) is 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is YDWYMPLCOUYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3S/c1-18-7-9-19(10-8-18)25-17-23(22-5-2-3-6-24(22)31-25)26(33)30-20-11-13-21(14-12-20)36(34,35)32-27-28-15-4-16-29-27/h2-17H,1H3,(H,30,33)(H,28,29,32).
What are the key properties of 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 1292635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).