N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide

C33H25N3O4S — CID 2422470

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C33H25N3O4S/c37-33(35-26-16-18-28(19-17-26)41(38,39)34-22-27-9-6-20-40-27)30-21-32(36-31-11-5-4-10-29(30)31)25-14-12-24(13-15-25)23-7-2-1-3-8-23/h1-21,34H,22H2,(H,35,37)
InChIKeyZPSAEPHQUQEMEX-UHFFFAOYSA-N
MW559.65 g/mol
LogP6.89
Rot. Bonds8

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide (PubChem CID 2422470) has the molecular formula C33H25N3O4S and a molecular weight of 559.65 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
PubChem CID2422470
Molecular FormulaC33H25N3O4S
Molecular Weight559.65 g/mol
Exact Mass559.16
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C33H25N3O4S/c37-33(35-26-16-18-28(19-17-26)41(38,39)34-22-27-9-6-20-40-27)30-21-32(36-31-11-5-4-10-29(30)31)25-14-12-24(13-15-25)23-7-2-1-3-8-23/h1-21,34H,22H2,(H,35,37)
InChIKeyZPSAEPHQUQEMEX-UHFFFAOYSA-N
XLogP6.89
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.65
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17430765
methane;N-[4-(methylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 160607746
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-[4-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2375419
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1292635
2-pyridin-4-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 25469665
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 17106098
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide (CID 2422470) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The InChIKey is ZPSAEPHQUQEMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O4S/c37-33(35-26-16-18-28(19-17-26)41(38,39)34-22-27-9-6-20-40-27)30-21-32(36-31-11-5-4-10-29(30)31)25-14-12-24(13-15-25)23-7-2-1-3-8-23/h1-21,34H,22H2,(H,35,37).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide has a molecular weight of 559.65 g/mol, XLogP of 6.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2422470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).