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

C12H19N3O3S — CID 79195522

IUPACN-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-9(8-13-2)12(16)14-10-6-4-5-7-11(10)15-19(3,17)18/h4-7,9,13,15H,8H2,1-3H3,(H,14,16)
InChIKeyQJZCOTTVEVWSKR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.85
Rot. Bonds6

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

N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79195522) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79195522
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccccc1NS(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-9(8-13-2)12(16)14-10-6-4-5-7-11(10)15-19(3,17)18/h4-7,9,13,15H,8H2,1-3H3,(H,14,16)
InChIKeyQJZCOTTVEVWSKR-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 119802651
N-[2-(methanesulfonamido)phenyl]-2-methylpropanamide
CID 47169208
(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
CID 119278967
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
CID 79196419
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747
N-[2-(methanesulfonamido)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119704021
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119815897
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
CID 81086132

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide (CID 79195522) is N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is QJZCOTTVEVWSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(8-13-2)12(16)14-10-6-4-5-7-11(10)15-19(3,17)18/h4-7,9,13,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79195522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).