2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide

C11H18N4O3S — CID 80646159

IUPAC2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide
SMILESCNS(=O)(=O)c1ccc(NC(C)(C)C(N)=O)cc1N
InChIInChI=1S/C11H18N4O3S/c1-11(2,10(13)16)15-7-4-5-9(8(12)6-7)19(17,18)14-3/h4-6,14-15H,12H2,1-3H3,(H2,13,16)
InChIKeyHFNKAEKJTGEPSZ-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.15
Rot. Bonds5

About 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide

2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide (PubChem CID 80646159) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide
PubChem CID80646159
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide
SMILESCNS(=O)(=O)c1ccc(NC(C)(C)C(N)=O)cc1N
InChIInChI=1S/C11H18N4O3S/c1-11(2,10(13)16)15-7-4-5-9(8(12)6-7)19(17,18)14-3/h4-6,14-15H,12H2,1-3H3,(H2,13,16)
InChIKeyHFNKAEKJTGEPSZ-UHFFFAOYSA-N
XLogP-0.15
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-sulfamoylanilino)-2-methylpropanamide
CID 79467145
2-amino-4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]benzoic acid
CID 104500511
2-[3-amino-4-(methylsulfamoyl)anilino]ethyl carbamate
CID 83202387
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide
CID 61221166
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzenesulfonamide
CID 80640880
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide?
The IUPAC name of 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide (CID 80646159) is 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide.
What is the SMILES notation for 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide?
The canonical SMILES for 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide is CNS(=O)(=O)c1ccc(NC(C)(C)C(N)=O)cc1N.
What is the InChIKey of 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide?
The InChIKey is HFNKAEKJTGEPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-11(2,10(13)16)15-7-4-5-9(8(12)6-7)19(17,18)14-3/h4-6,14-15H,12H2,1-3H3,(H2,13,16).
What are the key properties of 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide?
2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide has a molecular weight of 286.36 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide is sourced from PubChem (CID 80646159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).