N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide

C13H21N3O3S — CID 35329527

IUPACN-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C13H21N3O3S/c1-10-7-6-8-12(11(10)2)14-13(17)9-16(5)20(18,19)15(3)4/h6-8H,9H2,1-5H3,(H,14,17)
InChIKeyIAUUHEKQMCOKEN-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.98
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide

N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide (PubChem CID 35329527) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
PubChem CID35329527
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C13H21N3O3S/c1-10-7-6-8-12(11(10)2)14-13(17)9-16(5)20(18,19)15(3)4/h6-8H,9H2,1-5H3,(H,14,17)
InChIKeyIAUUHEKQMCOKEN-UHFFFAOYSA-N
XLogP0.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-(2,3-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314170
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943095
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 3383232
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62820404
N-(2,3-dimethylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
CID 115637950
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide (CID 35329527) is N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide?
The InChIKey is IAUUHEKQMCOKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-7-6-8-12(11(10)2)14-13(17)9-16(5)20(18,19)15(3)4/h6-8H,9H2,1-5H3,(H,14,17).
What are the key properties of N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide is sourced from PubChem (CID 35329527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).