2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide

C13H21N3O3S — CID 61259264

IUPAC2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-5-11(14)13(17)15-10-7-6-9(2)12(8-10)20(18,19)16(3)4/h6-8,11H,5,14H2,1-4H3,(H,15,17)
InChIKeyUKPOMFWDECKNAA-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.92
Rot. Bonds5

About 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide

2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide (PubChem CID 61259264) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
PubChem CID61259264
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H21N3O3S/c1-5-11(14)13(17)15-10-7-6-9(2)12(8-10)20(18,19)16(3)4/h6-8,11H,5,14H2,1-4H3,(H,15,17)
InChIKeyUKPOMFWDECKNAA-UHFFFAOYSA-N
XLogP0.92
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119675207
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
CID 119675164
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 62735221
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-hydroxyacetamide
CID 154862984
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide?
The IUPAC name of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide (CID 61259264) is 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide?
The canonical SMILES for 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide is CCC(N)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide?
The InChIKey is UKPOMFWDECKNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-5-11(14)13(17)15-10-7-6-9(2)12(8-10)20(18,19)16(3)4/h6-8,11H,5,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide?
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide has a molecular weight of 299.40 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide is sourced from PubChem (CID 61259264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).