2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride

C13H22ClN3O3S — CID 119815897

IUPAC2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(S(=O)(=O)NC)c1C.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(8-14-3)13(17)16-11-6-5-7-12(10(11)2)20(18,19)15-4;/h5-7,9,14-15H,8H2,1-4H3,(H,16,17);1H
InChIKeyBMBFFLCWXZHVSX-UHFFFAOYSA-N
MW335.86 g/mol
LogP1.12
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119815897) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119815897
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(S(=O)(=O)NC)c1C.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-9(8-14-3)13(17)16-11-6-5-7-12(10(11)2)20(18,19)15-4;/h5-7,9,14-15H,8H2,1-4H3,(H,16,17);1H
InChIKeyBMBFFLCWXZHVSX-UHFFFAOYSA-N
XLogP1.12
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195522
(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide
CID 129370727
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196270
1-butyl-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 71914641
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796053
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119815897) is 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride is CNCC(C)C(=O)Nc1cccc(S(=O)(=O)NC)c1C.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is BMBFFLCWXZHVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-9(8-14-3)13(17)16-11-6-5-7-12(10(11)2)20(18,19)15-4;/h5-7,9,14-15H,8H2,1-4H3,(H,16,17);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119815897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).