1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C28H25N3O4S2 — CID 16828928

IUPAC1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(c1ccccc1)c1sc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)nc1-c1ccccc1
InChIInChI=1S/C28H25N3O4S2/c32-25(21-13-6-2-7-14-21)26-24(20-11-4-1-5-12-20)29-28(36-26)30-27(33)22-15-10-18-31(19-22)37(34,35)23-16-8-3-9-17-23/h1-9,11-14,16-17,22H,10,15,18-19H2,(H,29,30,33)
InChIKeyQHCKMOLKOSLJJI-UHFFFAOYSA-N
MW531.66 g/mol
LogP5.08
Rot. Bonds7

About 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 16828928) has the molecular formula C28H25N3O4S2 and a molecular weight of 531.66 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID16828928
Molecular FormulaC28H25N3O4S2
Molecular Weight531.66 g/mol
Exact Mass531.13
IUPAC Name1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(c1ccccc1)c1sc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)nc1-c1ccccc1
InChIInChI=1S/C28H25N3O4S2/c32-25(21-13-6-2-7-14-21)26-24(20-11-4-1-5-12-20)29-28(36-26)30-27(33)22-15-10-18-31(19-22)37(34,35)23-16-8-3-9-17-23/h1-9,11-14,16-17,22H,10,15,18-19H2,(H,29,30,33)
InChIKeyQHCKMOLKOSLJJI-UHFFFAOYSA-N
XLogP5.08
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.66
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16861535
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 16828983
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827506
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826116
1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16828884
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829217
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280
N-(3-benzamidophenyl)-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 55796655

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 16828928) is 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(c1ccccc1)c1sc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)nc1-c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QHCKMOLKOSLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4S2/c32-25(21-13-6-2-7-14-21)26-24(20-11-4-1-5-12-20)29-28(36-26)30-27(33)22-15-10-18-31(19-22)37(34,35)23-16-8-3-9-17-23/h1-9,11-14,16-17,22H,10,15,18-19H2,(H,29,30,33).
What are the key properties of 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 531.66 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 16828928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).