N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

C19H29N3O3S — CID 24978731

IUPACN-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-21(2)26(24,25)16-10-11-18(22-12-6-7-13-22)17(14-16)19(23)20-15-8-4-3-5-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,20,23)
InChIKeyLCVATWRGHATIGJ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.60
Rot. Bonds5

About N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide

N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 24978731) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID24978731
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H29N3O3S/c1-21(2)26(24,25)16-10-11-18(22-12-6-7-13-22)17(14-16)19(23)20-15-8-4-3-5-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,20,23)
InChIKeyLCVATWRGHATIGJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide 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 N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 24978731) is N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is LCVATWRGHATIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-21(2)26(24,25)16-10-11-18(22-12-6-7-13-22)17(14-16)19(23)20-15-8-4-3-5-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 379.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 24978731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).