2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide

C12H19N3O3S — CID 79196433

IUPAC2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(8-13-2)12(16)15-10-4-6-11(7-5-10)19(17,18)14-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyDHSCWQHVXDBSSU-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.39
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide

2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide (PubChem CID 79196433) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
PubChem CID79196433
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(8-13-2)12(16)15-10-4-6-11(7-5-10)19(17,18)14-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyDHSCWQHVXDBSSU-UHFFFAOYSA-N
XLogP0.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754
N-[4-(carbamoylamino)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119701452
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
N-(4-iodophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672677
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide (CID 79196433) is 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide is CNCC(C)C(=O)Nc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
The InChIKey is DHSCWQHVXDBSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(8-13-2)12(16)15-10-4-6-11(7-5-10)19(17,18)14-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide?
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.39, 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-[4-(methylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 79196433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).