(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide

C12H19N3O3S — CID 79024115

IUPAC(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C12H19N3O3S/c1-4-10(13)12(16)15-9-6-5-8(2)11(7-9)19(17,18)14-3/h5-7,10,14H,4,13H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyUNBDWGLIZWSKDP-JTQLQIEISA-N
MW285.37 g/mol
LogP0.58
Rot. Bonds5

About (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide

(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide (PubChem CID 79024115) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
PubChem CID79024115
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1
InChIInChI=1S/C12H19N3O3S/c1-4-10(13)12(16)15-9-6-5-8(2)11(7-9)19(17,18)14-3/h5-7,10,14H,4,13H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyUNBDWGLIZWSKDP-JTQLQIEISA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 106111636
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide
CID 119293447
(2S)-2-amino-N-(4-ethyl-3-sulfamoylphenyl)butanamide
CID 119307334
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide (CID 79024115) is (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide is CC[C@H](N)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1.
What is the InChIKey of (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is UNBDWGLIZWSKDP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-10(13)12(16)15-9-6-5-8(2)11(7-9)19(17,18)14-3/h5-7,10,14H,4,13H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide?
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 79024115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).