N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide

C25H26N4O4S — CID 46537325

IUPACN-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H26N4O4S/c30-24(19-11-13-23(14-12-19)34(32,33)28-22-9-5-2-6-10-22)26-21-15-17-29(18-16-21)25(31)27-20-7-3-1-4-8-20/h1-14,21,28H,15-18H2,(H,26,30)(H,27,31)
InChIKeyWVQQKQPZRJWPCH-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.91
Rot. Bonds6

About N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide

N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide (PubChem CID 46537325) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
PubChem CID46537325
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H26N4O4S/c30-24(19-11-13-23(14-12-19)34(32,33)28-22-9-5-2-6-10-22)26-21-15-17-29(18-16-21)25(31)27-20-7-3-1-4-8-20/h1-14,21,28H,15-18H2,(H,26,30)(H,27,31)
InChIKeyWVQQKQPZRJWPCH-UHFFFAOYSA-N
XLogP3.91
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide (CID 46537325) is N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide?
The InChIKey is WVQQKQPZRJWPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c30-24(19-11-13-23(14-12-19)34(32,33)28-22-9-5-2-6-10-22)26-21-15-17-29(18-16-21)25(31)27-20-7-3-1-4-8-20/h1-14,21,28H,15-18H2,(H,26,30)(H,27,31).
What are the key properties of N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide?
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 46537325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).