N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C20H15N3O3S2 — CID 3368053

IUPACN-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O3S2/c21-28(25,26)14-9-7-13(8-10-14)22-20(24)16-12-18(19-6-3-11-27-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24)(H2,21,25,26)
InChIKeyROTUDRXMXAXNGS-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.86
Rot. Bonds4

About N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3368053) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3368053
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC NameN-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1
InChIInChI=1S/C20H15N3O3S2/c21-28(25,26)14-9-7-13(8-10-14)22-20(24)16-12-18(19-6-3-11-27-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24)(H2,21,25,26)
InChIKeyROTUDRXMXAXNGS-UHFFFAOYSA-N
XLogP3.86
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2965579
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-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
N-[4-nitro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3584085
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
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
2-(2,4-dimethoxyphenyl)-N-(4-sulfamoylphenyl)quinoline-4-carboxamide
CID 1010247
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 3368053) is N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is ROTUDRXMXAXNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c21-28(25,26)14-9-7-13(8-10-14)22-20(24)16-12-18(19-6-3-11-27-19)23-17-5-2-1-4-15(16)17/h1-12H,(H,22,24)(H2,21,25,26).
What are the key properties of N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3368053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).