1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide

C25H25N3O4S — CID 55410159

IUPAC1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25N3O4S/c29-24(26-21-7-3-1-4-8-21)19-15-17-28(18-16-19)25(30)20-11-13-22(14-12-20)27-33(31,32)23-9-5-2-6-10-23/h1-14,19,27H,15-18H2,(H,26,29)
InChIKeyNDDGABKPXGZFJO-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide

1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55410159) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55410159
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C25H25N3O4S/c29-24(26-21-7-3-1-4-8-21)19-15-17-28(18-16-19)25(30)20-11-13-22(14-12-20)27-33(31,32)23-9-5-2-6-10-23/h1-14,19,27H,15-18H2,(H,26,29)
InChIKeyNDDGABKPXGZFJO-UHFFFAOYSA-N
XLogP3.98
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
N-(4-methyl-2-pyridinyl)-1-[4-(phenylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55813137
1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 20973047
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-[3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 55349182
N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 18106352
1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397881
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide (CID 55410159) is 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is NDDGABKPXGZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c29-24(26-21-7-3-1-4-8-21)19-15-17-28(18-16-19)25(30)20-11-13-22(14-12-20)27-33(31,32)23-9-5-2-6-10-23/h1-14,19,27H,15-18H2,(H,26,29).
What are the key properties of 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide?
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55410159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).