2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide

C12H19N3O3S — CID 79196365

IUPAC2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H19N3O3S/c1-8(7-14-3)12(16)15-10-5-4-6-11(9(10)2)19(13,17)18/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyQFHQQWGUVVSVRX-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.44
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide

2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide (PubChem CID 79196365) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
PubChem CID79196365
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H19N3O3S/c1-8(7-14-3)12(16)15-10-5-4-6-11(9(10)2)19(13,17)18/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18)
InChIKeyQFHQQWGUVVSVRX-UHFFFAOYSA-N
XLogP0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.44
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
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
methyl 2-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196270
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195522
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide
CID 129370727
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide (CID 79196365) is 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide is CNCC(C)C(=O)Nc1cccc(S(N)(=O)=O)c1C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
The InChIKey is QFHQQWGUVVSVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(7-14-3)12(16)15-10-5-4-6-11(9(10)2)19(13,17)18/h4-6,8,14H,7H2,1-3H3,(H,15,16)(H2,13,17,18).
What are the key properties of 2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide?
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.44, 5 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-sulfamoylphenyl)propanamide is sourced from PubChem (CID 79196365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).