1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C23H24FN3O3S2 — CID 55611297

IUPAC1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1F
InChIInChI=1S/C23H24FN3O3S2/c1-16-7-8-17(14-21(16)24)13-19-15-25-23(31-19)26-22(28)18-9-11-27(12-10-18)32(29,30)20-5-3-2-4-6-20/h2-8,14-15,18H,9-13H2,1H3,(H,25,26,28)
InChIKeyWFEHBEQQKIIVGV-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.22
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 55611297) has the molecular formula C23H24FN3O3S2 and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID55611297
Molecular FormulaC23H24FN3O3S2
Molecular Weight473.60 g/mol
Exact Mass473.12
IUPAC Name1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1F
InChIInChI=1S/C23H24FN3O3S2/c1-16-7-8-17(14-21(16)24)13-19-15-25-23(31-19)26-22(28)18-9-11-27(12-10-18)32(29,30)20-5-3-2-4-6-20/h2-8,14-15,18H,9-13H2,1H3,(H,25,26,28)
InChIKeyWFEHBEQQKIIVGV-UHFFFAOYSA-N
XLogP4.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071829
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286816
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylpiperidine-4-carboxamide
CID 167947840
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 46535688
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119278182
1-(4-chlorobenzoyl)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 30685210
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-(5-benzyl-1,3-thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 99142497
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]morpholine-4-carboxamide
CID 56812814
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 119032325
1-(3,4-dimethylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 8919419
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 17469505

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 55611297) is 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(Cc2cnc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1F.
What is the InChIKey of 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is WFEHBEQQKIIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S2/c1-16-7-8-17(14-21(16)24)13-19-15-25-23(31-19)26-22(28)18-9-11-27(12-10-18)32(29,30)20-5-3-2-4-6-20/h2-8,14-15,18H,9-13H2,1H3,(H,25,26,28).
What are the key properties of 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55611297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).