3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride

C11H18ClN3O3S — CID 119270679

IUPAC3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)CCN)ccc1C.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-8-3-4-9(14-11(15)5-6-12)7-10(8)18(16,17)13-2;/h3-4,7,13H,5-6,12H2,1-2H3,(H,14,15);1H
InChIKeyULBJRBNSYVBUGL-UHFFFAOYSA-N
MW307.80 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride

3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride (PubChem CID 119270679) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
PubChem CID119270679
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)CCN)ccc1C.Cl
InChIInChI=1S/C11H17N3O3S.ClH/c1-8-3-4-9(14-11(15)5-6-12)7-10(8)18(16,17)13-2;/h3-4,7,13H,5-6,12H2,1-2H3,(H,14,15);1H
InChIKeyULBJRBNSYVBUGL-UHFFFAOYSA-N
XLogP0.61
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194
3-amino-2-methoxy-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 106111636
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 9016360
2-amino-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide
CID 61265605
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride (CID 119270679) is 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride is CNS(=O)(=O)c1cc(NC(=O)CCN)ccc1C.Cl.
What is the InChIKey of 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
The InChIKey is ULBJRBNSYVBUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S.ClH/c1-8-3-4-9(14-11(15)5-6-12)7-10(8)18(16,17)13-2;/h3-4,7,13H,5-6,12H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride?
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride has a molecular weight of 307.80 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119270679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).