1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

C26H27N3O4S — CID 41308368

IUPAC1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c27-34(32,33)23-12-10-22(11-13-23)28-25(30)20-14-16-29(17-15-20)26(31)24-9-5-4-8-21(24)18-19-6-2-1-3-7-19/h1-13,20H,14-18H2,(H,28,30)(H2,27,32,33)
InChIKeyPIJAWZIUUGNSLO-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.42
Rot. Bonds6

About 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide

1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 41308368) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID41308368
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H27N3O4S/c27-34(32,33)23-12-10-22(11-13-23)28-25(30)20-14-16-29(17-15-20)26(31)24-9-5-4-8-21(24)18-19-6-2-1-3-7-19/h1-13,20H,14-18H2,(H,28,30)(H2,27,32,33)
InChIKeyPIJAWZIUUGNSLO-UHFFFAOYSA-N
XLogP3.42
TPSA109.57 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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
N-(4-benzylphenyl)-1-(2-cyanobenzoyl)piperidine-4-carboxamide
CID 70644256
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
1-[3-(phenoxymethyl)furan-2-carbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55498214
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55395932
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 6470610
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 41308368) is 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is PIJAWZIUUGNSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c27-34(32,33)23-12-10-22(11-13-23)28-25(30)20-14-16-29(17-15-20)26(31)24-9-5-4-8-21(24)18-19-6-2-1-3-7-19/h1-13,20H,14-18H2,(H,28,30)(H2,27,32,33).
What are the key properties of 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylbenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 41308368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).