N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide

C32H26N4O3S — CID 2375419

IUPACN-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCC2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C32H26N4O3S/c37-32(34-25-16-18-26(19-17-25)40(38,39)36-31-11-6-20-33-31)28-21-30(35-29-10-5-4-9-27(28)29)24-14-12-23(13-15-24)22-7-2-1-3-8-22/h1-5,7-10,12-19,21H,6,11,20H2,(H,33,36)(H,34,37)
InChIKeyGAWCZFUKXQEIEE-UHFFFAOYSA-N
MW546.65 g/mol
LogP6.29
Rot. Bonds6

About N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide

N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide (PubChem CID 2375419) has the molecular formula C32H26N4O3S and a molecular weight of 546.65 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
PubChem CID2375419
Molecular FormulaC32H26N4O3S
Molecular Weight546.65 g/mol
Exact Mass546.17
IUPAC NameN-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCC2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C32H26N4O3S/c37-32(34-25-16-18-26(19-17-25)40(38,39)36-31-11-6-20-33-31)28-21-30(35-29-10-5-4-9-27(28)29)24-14-12-23(13-15-24)22-7-2-1-3-8-22/h1-5,7-10,12-19,21H,6,11,20H2,(H,33,36)(H,34,37)
InChIKeyGAWCZFUKXQEIEE-UHFFFAOYSA-N
XLogP6.29
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 3883463
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
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
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
N-[4-(diethylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide;methane
CID 158402633
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 1009544
N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 1358755
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide (CID 2375419) is N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2=NCCC2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The InChIKey is GAWCZFUKXQEIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3S/c37-32(34-25-16-18-26(19-17-25)40(38,39)36-31-11-6-20-33-31)28-21-30(35-29-10-5-4-9-27(28)29)24-14-12-23(13-15-24)22-7-2-1-3-8-22/h1-5,7-10,12-19,21H,6,11,20H2,(H,33,36)(H,34,37).
What are the key properties of N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide has a molecular weight of 546.65 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2375419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).