4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide

C23H30N4O4S — CID 46700441

IUPAC4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N4O4S/c1-3-17(2)26-32(30,31)21-11-9-18(10-12-21)22(28)24-20-13-15-27(16-14-20)23(29)25-19-7-5-4-6-8-19/h4-12,17,20,26H,3,13-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyAYHBEKSGJZPYMS-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.19
Rot. Bonds7

About 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46700441) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID46700441
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N4O4S/c1-3-17(2)26-32(30,31)21-11-9-18(10-12-21)22(28)24-20-13-15-27(16-14-20)23(29)25-19-7-5-4-6-8-19/h4-12,17,20,26H,3,13-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyAYHBEKSGJZPYMS-UHFFFAOYSA-N
XLogP3.19
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
4-[[(2R)-butan-2-yl]sulfamoyl]-N-cyclopentylbenzamide
CID 9214369
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-[[(2R)-butan-2-yl]sulfamoyl]-N-(4-methylcyclohexyl)benzamide
CID 39032121
N-(4-aminocyclohexyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119478111
4-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55501544
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
4-(butan-2-ylsulfamoyl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428182
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 46700441) is 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is AYHBEKSGJZPYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-3-17(2)26-32(30,31)21-11-9-18(10-12-21)22(28)24-20-13-15-27(16-14-20)23(29)25-19-7-5-4-6-8-19/h4-12,17,20,26H,3,13-16H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46700441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).