N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide

C26H27N3O4S — CID 41246759

IUPACN-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19-7-5-6-10-24(19)28-34(32,33)23-13-11-21(12-14-23)26(31)29-17-15-22(16-18-29)27-25(30)20-8-3-2-4-9-20/h2-14,22,28H,15-18H2,1H3,(H,27,30)
InChIKeyAVAKPPJIDGXCJK-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.83
Rot. Bonds6

About N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide

N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide (PubChem CID 41246759) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
PubChem CID41246759
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c1-19-7-5-6-10-24(19)28-34(32,33)23-13-11-21(12-14-23)26(31)29-17-15-22(16-18-29)27-25(30)20-8-3-2-4-9-20/h2-14,22,28H,15-18H2,1H3,(H,27,30)
InChIKeyAVAKPPJIDGXCJK-UHFFFAOYSA-N
XLogP3.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
CID 46678397
4-(4-aminopiperidine-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 119376026
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
CID 9164303
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119458614
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952659
1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159138
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 9264696
N-cyclopropyl-4-[(2,6-dimethylphenyl)sulfamoyl]benzamide
CID 109058325
tert-butyl 4-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 31351989
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide (CID 41246759) is N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide?
The InChIKey is AVAKPPJIDGXCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-19-7-5-6-10-24(19)28-34(32,33)23-13-11-21(12-14-23)26(31)29-17-15-22(16-18-29)27-25(30)20-8-3-2-4-9-20/h2-14,22,28H,15-18H2,1H3,(H,27,30).
What are the key properties of N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide?
N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide has a molecular weight of 477.59 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 41246759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).