4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

C21H33N3O3S — CID 2595100

IUPAC4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H33N3O3S/c1-23(2)28(26,27)19-11-9-18(10-12-19)20(25)22-17-21(13-5-3-6-14-21)24-15-7-4-8-16-24/h9-12H,3-8,13-17H2,1-2H3,(H,22,25)
InChIKeySSSJOTONIZYOOD-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.86
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 2595100) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID2595100
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H33N3O3S/c1-23(2)28(26,27)19-11-9-18(10-12-19)20(25)22-17-21(13-5-3-6-14-21)24-15-7-4-8-16-24/h9-12H,3-8,13-17H2,1-2H3,(H,22,25)
InChIKeySSSJOTONIZYOOD-UHFFFAOYSA-N
XLogP2.86
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide (CID 2595100) is 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is SSSJOTONIZYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-23(2)28(26,27)19-11-9-18(10-12-19)20(25)22-17-21(13-5-3-6-14-21)24-15-7-4-8-16-24/h9-12H,3-8,13-17H2,1-2H3,(H,22,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 407.58 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 2595100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).