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

C13H22ClN3O3S — CID 120502124

IUPAC3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(C)C(C)N)c1C.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-8(10(3)14)13(17)16-11-6-5-7-12(9(11)2)20(18,19)15-4;/h5-8,10,15H,14H2,1-4H3,(H,16,17);1H
InChIKeyYYJNJBLGNYMGCM-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.25
Rot. Bonds5

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

3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride (PubChem CID 120502124) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
PubChem CID120502124
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(C)C(C)N)c1C.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-8(10(3)14)13(17)16-11-6-5-7-12(9(11)2)20(18,19)15-4;/h5-8,10,15H,14H2,1-4H3,(H,16,17);1H
InChIKeyYYJNJBLGNYMGCM-UHFFFAOYSA-N
XLogP1.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119815897
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796053
(2S)-2-amino-3-methyl-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 61156317
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
1-butyl-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 71914641
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
3-amino-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]butanamide;dihydrochloride
CID 120503282
1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 75393640
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
3-amino-2-methyl-N-(2-propan-2-ylsulfanylphenyl)butanamide;hydrochloride
CID 120501372

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride (CID 120502124) is 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride is CNS(=O)(=O)c1cccc(NC(=O)C(C)C(C)N)c1C.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
The InChIKey is YYJNJBLGNYMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-8(10(3)14)13(17)16-11-6-5-7-12(9(11)2)20(18,19)15-4;/h5-8,10,15H,14H2,1-4H3,(H,16,17);1H.
What are the key properties of 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120502124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).