N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C24H21N3O3S2 — CID 2444020

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H21N3O3S2/c28-24(25-17-9-11-18(12-10-17)32(29,30)27-13-3-4-14-27)20-16-22(23-8-5-15-31-23)26-21-7-2-1-6-19(20)21/h1-2,5-12,15-16H,3-4,13-14H2,(H,25,28)
InChIKeyOCPVARSQQPZVKB-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.00
Rot. Bonds5

About N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2444020) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2444020
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H21N3O3S2/c28-24(25-17-9-11-18(12-10-17)32(29,30)27-13-3-4-14-27)20-16-22(23-8-5-15-31-23)26-21-7-2-1-6-19(20)21/h1-2,5-12,15-16H,3-4,13-14H2,(H,25,28)
InChIKeyOCPVARSQQPZVKB-UHFFFAOYSA-N
XLogP5.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
1-propan-2-yl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24580455
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 17431718
N-[4-(benzylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2965579
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27825760
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-[4-nitro-3-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3584085
N-(4-pyrrolidin-1-ylsulfonylphenyl)-1-benzothiophene-3-carboxamide
CID 1247057

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 2444020) is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is OCPVARSQQPZVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c28-24(25-17-9-11-18(12-10-17)32(29,30)27-13-3-4-14-27)20-16-22(23-8-5-15-31-23)26-21-7-2-1-6-19(20)21/h1-2,5-12,15-16H,3-4,13-14H2,(H,25,28).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2444020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).