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

C24H22N4O3S2 — CID 25187694

IUPACN-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3ccccc3n2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C24H22N4O3S2/c29-24(18-11-13-28(14-12-18)33(30,31)23-6-3-15-32-23)26-19-9-7-17(8-10-19)22-16-25-20-4-1-2-5-21(20)27-22/h1-10,15-16,18H,11-14H2,(H,26,29)
InChIKeyLQUHLVNEMGAFDF-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.40
Rot. Bonds5

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

N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 25187694) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID25187694
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC NameN-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3ccccc3n2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C24H22N4O3S2/c29-24(18-11-13-28(14-12-18)33(30,31)23-6-3-15-32-23)26-19-9-7-17(8-10-19)22-16-25-20-4-1-2-5-21(20)27-22/h1-10,15-16,18H,11-14H2,(H,26,29)
InChIKeyLQUHLVNEMGAFDF-UHFFFAOYSA-N
XLogP4.40
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 830459
N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-carboxamide
CID 11393847
N-[4-(quinolin-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 25188506
N-pyridin-3-yl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330442
1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 5308292
4-methyl-N-{2-oxo-2-[2-(2-thienylmethylene)hydrazino]ethyl}-N-8-quinolinylbenzenesulfonamide
CID 6260087
N-(pyridin-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3239635
1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 5308079
3-Quinolyl(2-thienylsulfonyl)amine
CID 17352619
3-Phenyl-2-(quinoline-8-sulfonamido)-N-[(thiophen-2-YL)methyl]propanamide
CID 20950521
1-methylsulfonyl-N-(1-pyridin-2-yl-2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 110222176
N-[(3-methyl-2-pyridinyl)-thiophen-2-ylmethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 172436417

Frequently Asked Questions

What is the IUPAC name of N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 25187694) is N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccc(-c2cnc3ccccc3n2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LQUHLVNEMGAFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c29-24(18-11-13-28(14-12-18)33(30,31)23-6-3-15-32-23)26-19-9-7-17(8-10-19)22-16-25-20-4-1-2-5-21(20)27-22/h1-10,15-16,18H,11-14H2,(H,26,29).
What are the key properties of N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-quinoxalin-2-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 25187694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).