N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide

C19H24N2O3S2 — CID 49189146

IUPACN-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-5-19(2,3)20-18(22)14-6-8-15(9-7-14)21-26(23,24)17-12-10-16(25-4)11-13-17/h6-13,21H,5H2,1-4H3,(H,20,22)
InChIKeyJBXYZMHUEMKQBF-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.13
Rot. Bonds7

About N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide

N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide (PubChem CID 49189146) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
PubChem CID49189146
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-5-19(2,3)20-18(22)14-6-8-15(9-7-14)21-26(23,24)17-12-10-16(25-4)11-13-17/h6-13,21H,5H2,1-4H3,(H,20,22)
InChIKeyJBXYZMHUEMKQBF-UHFFFAOYSA-N
XLogP4.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
N-cyclohexyl-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 49189674
N-(1-amino-2-methylpropan-2-yl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119524777
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
4-[[(2S)-2-[(4-chlorophenyl)sulfonylamino]propanoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55990856
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644
N-tert-butyl-4-[(3,5-difluorophenyl)sulfonylamino]benzamide
CID 24663107

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide (CID 49189146) is N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide is CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
The InChIKey is JBXYZMHUEMKQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-5-19(2,3)20-18(22)14-6-8-15(9-7-14)21-26(23,24)17-12-10-16(25-4)11-13-17/h6-13,21H,5H2,1-4H3,(H,20,22).
What are the key properties of N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide?
N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide has a molecular weight of 392.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 49189146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).