3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C23H20N4O3S2 — CID 52719497

IUPAC3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C23H20N4O3S2/c28-23(24-22-15-19(25-26-22)21-11-5-13-31-21)17-7-3-9-18(14-17)32(29,30)27-12-4-8-16-6-1-2-10-20(16)27/h1-3,5-7,9-11,13-15H,4,8,12H2,(H2,24,25,26,28)
InChIKeyUGMCTXHNWASPHI-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.53
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 52719497) has the molecular formula C23H20N4O3S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID52719497
Molecular FormulaC23H20N4O3S2
Molecular Weight464.57 g/mol
Exact Mass464.10
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C23H20N4O3S2/c28-23(24-22-15-19(25-26-22)21-11-5-13-31-21)17-7-3-9-18(14-17)32(29,30)27-12-4-8-16-6-1-2-10-20(16)27/h1-3,5-7,9-11,13-15H,4,8,12H2,(H2,24,25,26,28)
InChIKeyUGMCTXHNWASPHI-UHFFFAOYSA-N
XLogP4.53
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 66762821
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CID 25102342
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 24980754
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765111
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 55341761
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 2492615
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 112805723
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 52719497) is 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UGMCTXHNWASPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S2/c28-23(24-22-15-19(25-26-22)21-11-5-13-31-21)17-7-3-9-18(14-17)32(29,30)27-12-4-8-16-6-1-2-10-20(16)27/h1-3,5-7,9-11,13-15H,4,8,12H2,(H2,24,25,26,28).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 464.57 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 52719497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).