N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

C27H21N3O3S2 — CID 2965579

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C27H21N3O3S2/c31-27(23-17-25(26-11-6-16-34-26)30-24-10-5-4-9-22(23)24)29-20-12-14-21(15-13-20)35(32,33)28-18-19-7-2-1-3-8-19/h1-17,28H,18H2,(H,29,31)
InChIKeyFTJNJAUONXODTR-UHFFFAOYSA-N
MW499.62 g/mol
LogP5.69
Rot. Bonds7

About N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2965579) has the molecular formula C27H21N3O3S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2965579
Molecular FormulaC27H21N3O3S2
Molecular Weight499.62 g/mol
Exact Mass499.10
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C27H21N3O3S2/c31-27(23-17-25(26-11-6-16-34-26)30-24-10-5-4-9-22(23)24)29-20-12-14-21(15-13-20)35(32,33)28-18-19-7-2-1-3-8-19/h1-17,28H,18H2,(H,29,31)
InChIKeyFTJNJAUONXODTR-UHFFFAOYSA-N
XLogP5.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-[4-nitro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3584085
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2422470
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4989292
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
2-pyridin-4-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 25469665

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 2965579) is N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is FTJNJAUONXODTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3S2/c31-27(23-17-25(26-11-6-16-34-26)30-24-10-5-4-9-22(23)24)29-20-12-14-21(15-13-20)35(32,33)28-18-19-7-2-1-3-8-19/h1-17,28H,18H2,(H,29,31).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).