2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide

C13H21N3O3S — CID 61221166

IUPAC2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(C)(C)C(N)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-9(2)16-20(18,19)11-7-5-10(6-8-11)15-13(3,4)12(14)17/h5-9,15-16H,1-4H3,(H2,14,17)
InChIKeyWSNLPDBNSRAGIJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds6

About 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide

2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide (PubChem CID 61221166) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide
PubChem CID61221166
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(C)(C)C(N)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-9(2)16-20(18,19)11-7-5-10(6-8-11)15-13(3,4)12(14)17/h5-9,15-16H,1-4H3,(H2,14,17)
InChIKeyWSNLPDBNSRAGIJ-UHFFFAOYSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 64558207
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119269225
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711
2,2-dimethyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 58611685
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
CID 63731923
2-amino-2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 119685767
4-(ethylsulfonylamino)-N-propan-2-ylbenzenesulfonamide
CID 60656130
2-[3-amino-4-(methylsulfamoyl)anilino]-2-methylpropanamide
CID 80646159
(2S)-2-(carbamoylamino)-4-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219440
2-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 18668315
2-methoxy-2-methyl-3-oxo-3-[4-(propan-2-ylsulfamoyl)anilino]propanoic acid
CID 138032225
4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide?
The IUPAC name of 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide (CID 61221166) is 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide.
What is the SMILES notation for 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide?
The canonical SMILES for 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(C)(C)C(N)=O)cc1.
What is the InChIKey of 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide?
The InChIKey is WSNLPDBNSRAGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)16-20(18,19)11-7-5-10(6-8-11)15-13(3,4)12(14)17/h5-9,15-16H,1-4H3,(H2,14,17).
What are the key properties of 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide?
2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide has a molecular weight of 299.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(propan-2-ylsulfamoyl)anilino]propanamide is sourced from PubChem (CID 61221166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).