1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide

C28H33N3O3S — CID 25225132

IUPAC1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33N3O3S/c29-35(33,34)26-13-11-22(12-14-26)21-30-28(32)25-15-18-31(19-16-25)20-17-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27H,15-21H2,(H,30,32)(H2,29,33,34)
InChIKeyGDJIOFQPRPMNIK-UHFFFAOYSA-N
MW491.66 g/mol
LogP3.88
Rot. Bonds9

About 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide

1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 25225132) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
PubChem CID25225132
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H33N3O3S/c29-35(33,34)26-13-11-22(12-14-26)21-30-28(32)25-15-18-31(19-16-25)20-17-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27H,15-21H2,(H,30,32)(H2,29,33,34)
InChIKeyGDJIOFQPRPMNIK-UHFFFAOYSA-N
XLogP3.88
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 25205608
N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 24589298
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(3,3-diphenylpropyl)-2-methyl-3-[(4-sulfamoylphenyl)methyl]guanidine
CID 111233611
(3R)-1-naphthalen-2-ylsulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 28562145
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide (CID 25225132) is 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GDJIOFQPRPMNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3S/c29-35(33,34)26-13-11-22(12-14-26)21-30-28(32)25-15-18-31(19-16-25)20-17-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27H,15-21H2,(H,30,32)(H2,29,33,34).
What are the key properties of 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 491.66 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25225132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).