1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide

C24H29N3O4S — CID 46578445

IUPAC1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C24H29N3O4S/c28-23(25-20-10-2-1-3-11-20)19-9-7-15-27(17-19)24(29)18-8-6-14-22(16-18)32(30,31)26-21-12-4-5-13-21/h1-3,6,8,10-11,14,16,19,21,26H,4-5,7,9,12-13,15,17H2,(H,25,28)
InChIKeyPQESVUGNDWDFEF-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.40
Rot. Bonds6

About 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide

1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 46578445) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID46578445
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C24H29N3O4S/c28-23(25-20-10-2-1-3-11-20)19-9-7-15-27(17-19)24(29)18-8-6-14-22(16-18)32(30,31)26-21-12-4-5-13-21/h1-3,6,8,10-11,14,16,19,21,26H,4-5,7,9,12-13,15,17H2,(H,25,28)
InChIKeyPQESVUGNDWDFEF-UHFFFAOYSA-N
XLogP3.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239665
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide (CID 46578445) is 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1.
What is the InChIKey of 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is PQESVUGNDWDFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c28-23(25-20-10-2-1-3-11-20)19-9-7-15-27(17-19)24(29)18-8-6-14-22(16-18)32(30,31)26-21-12-4-5-13-21/h1-3,6,8,10-11,14,16,19,21,26H,4-5,7,9,12-13,15,17H2,(H,25,28).
What are the key properties of 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide?
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46578445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).