4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

C20H24N2O3S — CID 3218782

IUPAC4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-3-7-17(8-4-15)20(23)21-18-11-13-22(14-12-18)26(24,25)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3,(H,21,23)
InChIKeyJYTOOTKIPLDGIJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.89
Rot. Bonds4

About 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide

4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 3218782) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID3218782
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-3-7-17(8-4-15)20(23)21-18-11-13-22(14-12-18)26(24,25)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3,(H,21,23)
InChIKeyJYTOOTKIPLDGIJ-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-benzyl-4-sulfamoylbenzamide
CID 4347
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide
CID 3342390
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424
n-Propyl-4-sulfamoylbenzamide
CID 226552

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 3218782) is 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is JYTOOTKIPLDGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-3-7-17(8-4-15)20(23)21-18-11-13-22(14-12-18)26(24,25)19-9-5-16(2)6-10-19/h3-10,18H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide?
4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 3218782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).