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

C12H20ClN3O3S — CID 119293956

IUPAC2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(N)C(C)C)c1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-8(2)11(13)12(16)15-9-5-4-6-10(7-9)19(17,18)14-3;/h4-8,11,14H,13H2,1-3H3,(H,15,16);1H
InChIKeyABQPFWVZDDNZCW-UHFFFAOYSA-N
MW321.83 g/mol
LogP0.94
Rot. Bonds5

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

2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride (PubChem CID 119293956) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
PubChem CID119293956
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(NC(=O)C(N)C(C)C)c1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-8(2)11(13)12(16)15-9-5-4-6-10(7-9)19(17,18)14-3;/h4-8,11,14H,13H2,1-3H3,(H,15,16);1H
InChIKeyABQPFWVZDDNZCW-UHFFFAOYSA-N
XLogP0.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 51885688
2-bromo-N-[3-(methylsulfamoyl)phenyl]propanamide
CID 107903680
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
2-amino-N-[3-(methylsulfamoyl)phenyl]hexanamide
CID 60854034
(2S)-2-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119341505
2-(aminomethyl)-N-[3-(methylsulfamoyl)phenyl]pentanamide
CID 65225091
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 65264954
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
(2S)-2-amino-N-[3-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 119688794
N-[3-(methylsulfamoyl)phenyl]-3-oxobutanamide
CID 61251053

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride (CID 119293956) is 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride is CNS(=O)(=O)c1cccc(NC(=O)C(N)C(C)C)c1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
The InChIKey is ABQPFWVZDDNZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S.ClH/c1-8(2)11(13)12(16)15-9-5-4-6-10(7-9)19(17,18)14-3;/h4-8,11,14H,13H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride?
2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119293956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).