N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide

C21H27N3O3S — CID 118398395

IUPACN-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-23(2)28(26,27)20-10-8-18(9-11-20)19-12-14-24(15-13-19)21(25)22-16-17-6-4-3-5-7-17/h3-11,19H,12-16H2,1-2H3,(H,22,25)
InChIKeyKUSNYMQHLWJCOE-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.03
Rot. Bonds5

About N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide

N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 118398395) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide
PubChem CID118398395
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-23(2)28(26,27)20-10-8-18(9-11-20)19-12-14-24(15-13-19)21(25)22-16-17-6-4-3-5-7-17/h3-11,19H,12-16H2,1-2H3,(H,22,25)
InChIKeyKUSNYMQHLWJCOE-UHFFFAOYSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide (CID 118398395) is N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(C2CCN(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is KUSNYMQHLWJCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-23(2)28(26,27)20-10-8-18(9-11-20)19-12-14-24(15-13-19)21(25)22-16-17-6-4-3-5-7-17/h3-11,19H,12-16H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide?
N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(dimethylsulfamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 118398395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).