3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

C19H31N3O3S — CID 55835773

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)CN2CCCC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H31N3O3S/c1-14(13-22-8-6-7-9-22)12-20-19(23)17-10-15(2)16(3)18(11-17)26(24,25)21(4)5/h10-11,14H,6-9,12-13H2,1-5H3,(H,20,23)
InChIKeyGBRTYVJXHPQBPC-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.02
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 55835773) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID55835773
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cc(C(=O)NCC(C)CN2CCCC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H31N3O3S/c1-14(13-22-8-6-7-9-22)12-20-19(23)17-10-15(2)16(3)18(11-17)26(24,25)21(4)5/h10-11,14H,6-9,12-13H2,1-5H3,(H,20,23)
InChIKeyGBRTYVJXHPQBPC-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
CID 46522058
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043512
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55879251
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
CID 78794431
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 42953043
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 30550464
5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46478069

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide (CID 55835773) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is Cc1cc(C(=O)NCC(C)CN2CCCC2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is GBRTYVJXHPQBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-14(13-22-8-6-7-9-22)12-20-19(23)17-10-15(2)16(3)18(11-17)26(24,25)21(4)5/h10-11,14H,6-9,12-13H2,1-5H3,(H,20,23).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 381.54 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 55835773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).