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

C20H31N3O3S — CID 2116105

IUPACN-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C20H31N3O3S/c1-22(2)27(25,26)17-10-11-19(23-12-6-7-13-23)18(14-17)20(24)21-15-16-8-4-3-5-9-16/h10-11,14,16H,3-9,12-13,15H2,1-2H3,(H,21,24)
InChIKeyBMPAFTCJJWTWAM-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.85
Rot. Bonds6

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

N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 2116105) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID2116105
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC NameN-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C20H31N3O3S/c1-22(2)27(25,26)17-10-11-19(23-12-6-7-13-23)18(14-17)20(24)21-15-16-8-4-3-5-9-16/h10-11,14,16H,3-9,12-13,15H2,1-2H3,(H,21,24)
InChIKeyBMPAFTCJJWTWAM-UHFFFAOYSA-N
XLogP2.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide
CID 2440433
N-butyl-4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 12698199
1-Methyl-3-Oxo-1,3-Dihydro-Benzo(C)Isothiazole-5-Sulfonic Acid Amide
CID 1387
Isatin Sulfonamide 26
CID 9800285
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
2-(benzenesulfonamido)-N-(thiolan-3-yl)benzamide
CID 2805665
4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 126507636
2-(benzylamino)-N-butyl-4-chloro-5-sulfamoylbenzamide
CID 126507891
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-cyclopropyl-1-methyl-3-oxo-2,1-benzothiazole-5-sulfonamide
CID 2798315

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide (CID 2116105) is N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is BMPAFTCJJWTWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-22(2)27(25,26)17-10-11-19(23-12-6-7-13-23)18(14-17)20(24)21-15-16-8-4-3-5-9-16/h10-11,14,16H,3-9,12-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide?
N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 393.55 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 2116105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).