2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide

C12H19N3O3S — CID 50807963

IUPAC2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H19N3O3S/c1-10-5-7-11(8-6-10)15(9-12(16)13-2)19(17,18)14(3)4/h5-8H,9H2,1-4H3,(H,13,16)
InChIKeyNVANGEORVKDRKP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.35
Rot. Bonds5

About 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide

2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide (PubChem CID 50807963) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
PubChem CID50807963
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H19N3O3S/c1-10-5-7-11(8-6-10)15(9-12(16)13-2)19(17,18)14(3)4/h5-8H,9H2,1-4H3,(H,13,16)
InChIKeyNVANGEORVKDRKP-UHFFFAOYSA-N
XLogP0.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 50807890
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 50807992
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 50807919
N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283214
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 46364496
N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92663731
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92893418
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172772
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 50807906

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide (CID 50807963) is 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide is CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide?
The InChIKey is NVANGEORVKDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10-5-7-11(8-6-10)15(9-12(16)13-2)19(17,18)14(3)4/h5-8H,9H2,1-4H3,(H,13,16).
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide?
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide is sourced from PubChem (CID 50807963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).