(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide

C12H19N3O3S — CID 79013470

IUPAC(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H19N3O3S/c1-7(2)11(13)12(16)15-10-6-9(19(14,17)18)5-4-8(10)3/h4-7,11H,13H2,1-3H3,(H,15,16)(H2,14,17,18)/t11-/m1/s1
InChIKeyXVHDIUVBBAPEGA-LLVKDONJSA-N
MW285.37 g/mol
LogP0.56
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide

(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide (PubChem CID 79013470) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
PubChem CID79013470
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C12H19N3O3S/c1-7(2)11(13)12(16)15-10-6-9(19(14,17)18)5-4-8(10)3/h4-7,11H,13H2,1-3H3,(H,15,16)(H2,14,17,18)/t11-/m1/s1
InChIKeyXVHDIUVBBAPEGA-LLVKDONJSA-N
XLogP0.56
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 61172312
(2S)-2-amino-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methylbutanamide
CID 61258908
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)-3-methylbutanamide
CID 61178070
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide (CID 79013470) is (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide?
The InChIKey is XVHDIUVBBAPEGA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(2)11(13)12(16)15-10-6-9(19(14,17)18)5-4-8(10)3/h4-7,11H,13H2,1-3H3,(H,15,16)(H2,14,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide?
(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide is sourced from PubChem (CID 79013470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).