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

C26H29N3O3S — CID 45019498

IUPAC1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-7-9-24(10-8-20)28-33(31,32)25-13-11-23(12-14-25)27-26(30)22-15-17-29(18-16-22)19-21-5-3-2-4-6-21/h2-14,22,28H,15-19H2,1H3,(H,27,30)
InChIKeyBSXKCBQLQHQUNF-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.65
Rot. Bonds7

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

1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide (PubChem CID 45019498) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
PubChem CID45019498
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-7-9-24(10-8-20)28-33(31,32)25-13-11-23(12-14-25)27-26(30)22-15-17-29(18-16-22)19-21-5-3-2-4-6-21/h2-14,22,28H,15-19H2,1H3,(H,27,30)
InChIKeyBSXKCBQLQHQUNF-UHFFFAOYSA-N
XLogP4.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021390
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
1-[(4-bromophenyl)methylsulfonyl]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99940101
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 108782317
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
(1-benzylpiperidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46774180
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55468420
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45021735
4-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767206
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 6470610
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 45009865

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide (CID 45019498) is 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide?
The InChIKey is BSXKCBQLQHQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-20-7-9-24(10-8-20)28-33(31,32)25-13-11-23(12-14-25)27-26(30)22-15-17-29(18-16-22)19-21-5-3-2-4-6-21/h2-14,22,28H,15-19H2,1H3,(H,27,30).
What are the key properties of 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide?
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide has a molecular weight of 463.60 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45019498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).