N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C25H23N3O3S2 — CID 25188506

IUPACN-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C25H23N3O3S2/c29-25(20-13-15-28(16-14-20)33(30,31)24-6-3-17-32-24)26-21-10-7-19(8-11-21)23-12-9-18-4-1-2-5-22(18)27-23/h1-12,17,20H,13-16H2,(H,26,29)
InChIKeyRZVHGFPXYYBMTM-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.00
Rot. Bonds5

About N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 25188506) has the molecular formula C25H23N3O3S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID25188506
Molecular FormulaC25H23N3O3S2
Molecular Weight477.61 g/mol
Exact Mass477.12
IUPAC NameN-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C25H23N3O3S2/c29-25(20-13-15-28(16-14-20)33(30,31)24-6-3-17-32-24)26-21-10-7-19(8-11-21)23-12-9-18-4-1-2-5-22(18)27-23/h1-12,17,20H,13-16H2,(H,26,29)
InChIKeyRZVHGFPXYYBMTM-UHFFFAOYSA-N
XLogP5.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 16830520
N-[4-(quinoxalin-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25187694
N-[4-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188508
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-3-yl)quinoline-4-carboxamide
CID 53318420
3-(methylsulfinyl)-N-((S)-1-phenylpropyl)-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 53323748
N-[4-(acetylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1222926
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 3368053
2-(3-Cyano-quinolin-2-ylsulfanyl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 652021
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 1176127
N-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-2-(3,6,8-trimethyl-quinolin-2-ylsulfanyl)-acetamide
CID 1176164
4-{[4-(Methylsulfonyl)-1-piperazinyl]carbonyl}-2-(2-thienyl)quinoline
CID 1261934
N-(9-ethyl-9H-carbazol-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2314542

Frequently Asked Questions

What is the IUPAC name of N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 25188506) is N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(-c2ccc3ccccc3n2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is RZVHGFPXYYBMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S2/c29-25(20-13-15-28(16-14-20)33(30,31)24-6-3-17-32-24)26-21-10-7-19(8-11-21)23-12-9-18-4-1-2-5-22(18)27-23/h1-12,17,20H,13-16H2,(H,26,29).
What are the key properties of N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 477.61 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-quinolin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25188506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).