4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide

C17H28N2O3S — CID 51188883

IUPAC4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-16(2,3)12-17(4,5)18-15(20)13-8-10-14(11-9-13)23(21,22)19(6)7/h8-11H,12H2,1-7H3,(H,18,20)
InChIKeyWEBFKDRIRDHNLY-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.88
Rot. Bonds5

About 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide

4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 51188883) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID51188883
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3S/c1-16(2,3)12-17(4,5)18-15(20)13-8-10-14(11-9-13)23(21,22)19(6)7/h8-11H,12H2,1-7H3,(H,18,20)
InChIKeyWEBFKDRIRDHNLY-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 55538385
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-(propanoylamino)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17257385
[2-(tert-butylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2433856
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549
4-(dimethylsulfamoyl)-N-(4-methylsulfonylphenyl)benzamide
CID 4845311
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 51188883) is 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is WEBFKDRIRDHNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-16(2,3)12-17(4,5)18-15(20)13-8-10-14(11-9-13)23(21,22)19(6)7/h8-11H,12H2,1-7H3,(H,18,20).
What are the key properties of 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide?
4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 340.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 51188883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).