(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide

C12H19N3O3S — CID 61156317

IUPAC(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H19N3O3S/c1-8(2)11(13)12(16)15-9-6-4-5-7-10(9)19(17,18)14-3/h4-8,11,14H,13H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyHDXMPHLOTUYYIC-NSHDSACASA-N
MW285.37 g/mol
LogP0.52
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide

(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide (PubChem CID 61156317) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
PubChem CID61156317
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H19N3O3S/c1-8(2)11(13)12(16)15-9-6-4-5-7-10(9)19(17,18)14-3/h4-8,11,14H,13H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyHDXMPHLOTUYYIC-NSHDSACASA-N
XLogP0.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]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-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
4-amino-5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 64896402
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbutanamide
CID 54862879
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 119293956
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
(2S)-2-amino-3-methyl-N-(2-phenylsulfanylphenyl)butanamide
CID 61254196

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide (CID 61156317) is (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1ccccc1NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is HDXMPHLOTUYYIC-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)11(13)12(16)15-9-6-4-5-7-10(9)19(17,18)14-3/h4-8,11,14H,13H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 61156317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).