N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide

C20H24N2O3S — CID 26119072

IUPACN-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-9-11-17(12-10-16)15-21-20(23)18-7-3-4-8-19(18)26(24,25)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyCSUFFQGKHQTKKU-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide

N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 26119072) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID26119072
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-9-11-17(12-10-16)15-21-20(23)18-7-3-4-8-19(18)26(24,25)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23)
InChIKeyCSUFFQGKHQTKKU-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55798245
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55396039
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 38748405
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide (CID 26119072) is N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide is Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CSUFFQGKHQTKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-9-11-17(12-10-16)15-21-20(23)18-7-3-4-8-19(18)26(24,25)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26119072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).