2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide

C30H25N3O4S — CID 3672707

IUPAC2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H25N3O4S/c1-20-7-17-25(18-8-20)38(35,36)33-23-13-11-22(12-14-23)31-30(34)27-19-29(21-9-15-24(37-2)16-10-21)32-28-6-4-3-5-26(27)28/h3-19,33H,1-2H3,(H,31,34)
InChIKeyIDVXTZSROCHEJX-UHFFFAOYSA-N
MW523.61 g/mol
LogP6.27
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide (PubChem CID 3672707) has the molecular formula C30H25N3O4S and a molecular weight of 523.61 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
PubChem CID3672707
Molecular FormulaC30H25N3O4S
Molecular Weight523.61 g/mol
Exact Mass523.16
IUPAC Name2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H25N3O4S/c1-20-7-17-25(18-8-20)38(35,36)33-23-13-11-22(12-14-23)31-30(34)27-19-29(21-9-15-24(37-2)16-10-21)32-28-6-4-3-5-26(27)28/h3-19,33H,1-2H3,(H,31,34)
InChIKeyIDVXTZSROCHEJX-UHFFFAOYSA-N
XLogP6.27
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.61
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4622213
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4103073
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2375419
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide (CID 3672707) is 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
The InChIKey is IDVXTZSROCHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4S/c1-20-7-17-25(18-8-20)38(35,36)33-23-13-11-22(12-14-23)31-30(34)27-19-29(21-9-15-24(37-2)16-10-21)32-28-6-4-3-5-26(27)28/h3-19,33H,1-2H3,(H,31,34).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide has a molecular weight of 523.61 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3672707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).