3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide

C19H24N2O3S — CID 110355133

IUPAC3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-15(12-16-8-5-4-6-9-16)14-20-19(22)17-10-7-11-18(13-17)25(23,24)21(2)3/h4-11,13,15H,12,14H2,1-3H3,(H,20,22)
InChIKeyWJXPVTNPHHZRQR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.55
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide

3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide (PubChem CID 110355133) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
PubChem CID110355133
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-15(12-16-8-5-4-6-9-16)14-20-19(22)17-10-7-11-18(13-17)25(23,24)21(2)3/h4-11,13,15H,12,14H2,1-3H3,(H,20,22)
InChIKeyWJXPVTNPHHZRQR-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 8794851
[(1R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2394214
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-phenylpropanoate
CID 2537053
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
CID 8916153
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
3-(dimethylsulfamoyl)-N-[3-(2-methylpropyl)phenyl]benzamide
CID 110425651
N-(3-amino-2-methylpropyl)-3-benzylsulfonylbenzamide
CID 119997939
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide (CID 110355133) is 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide is CC(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)Cc1ccccc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide?
The InChIKey is WJXPVTNPHHZRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(12-16-8-5-4-6-9-16)14-20-19(22)17-10-7-11-18(13-17)25(23,24)21(2)3/h4-11,13,15H,12,14H2,1-3H3,(H,20,22).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide?
3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-methyl-3-phenylpropyl)benzamide is sourced from PubChem (CID 110355133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).