quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone

C24H21N3O3S2 — CID 24730849

IUPACquinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(-c3ccsc3)cc2)CC1
InChIInChI=1S/C24H21N3O3S2/c28-24(23-15-25-21-3-1-2-4-22(21)26-23)27-12-9-20(10-13-27)32(29,30)19-7-5-17(6-8-19)18-11-14-31-16-18/h1-8,11,14-16,20H,9-10,12-13H2
InChIKeyQPUUZZZPRFPQNF-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.44
Rot. Bonds4

About quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone

quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 24730849) has the molecular formula C24H21N3O3S2 and a molecular weight of 463.58 g/mol. Its IUPAC name is quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namequinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID24730849
Molecular FormulaC24H21N3O3S2
Molecular Weight463.58 g/mol
Exact Mass463.10
IUPAC Namequinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(-c3ccsc3)cc2)CC1
InChIInChI=1S/C24H21N3O3S2/c28-24(23-15-25-21-3-1-2-4-22(21)26-23)27-12-9-20(10-13-27)32(29,30)19-7-5-17(6-8-19)18-11-14-31-16-18/h1-8,11,14-16,20H,9-10,12-13H2
InChIKeyQPUUZZZPRFPQNF-UHFFFAOYSA-N
XLogP4.44
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-[4-(methoxymethyl)phenyl]phenyl]sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 24731052
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 71808743
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 121151967
1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
CID 24730850
N-(2,1,3-benzothiadiazol-4-yl)-4-(4-thiophen-3-ylphenyl)sulfonylpiperidine-1-carboxamide
CID 24730834
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
quinoxalin-2-yl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642632
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-quinoxalin-2-ylmethanone
CID 7678415

Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone (CID 24730849) is quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone is O=C(c1cnc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(-c3ccsc3)cc2)CC1.
What is the InChIKey of quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is QPUUZZZPRFPQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S2/c28-24(23-15-25-21-3-1-2-4-22(21)26-23)27-12-9-20(10-13-27)32(29,30)19-7-5-17(6-8-19)18-11-14-31-16-18/h1-8,11,14-16,20H,9-10,12-13H2.
What are the key properties of quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone?
quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 463.58 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 24730849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).