N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide

C13H21N3O3S — CID 62835077

IUPACN-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-9-8-10(15-12(17)13(2,3)14-4)6-7-11(9)16-20(5,18)19/h6-8,14,16H,1-5H3,(H,15,17)
InChIKeyYYHJTKQQSOIATJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.30
Rot. Bonds5

About N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide

N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide (PubChem CID 62835077) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
PubChem CID62835077
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-9-8-10(15-12(17)13(2,3)14-4)6-7-11(9)16-20(5,18)19/h6-8,14,16H,1-5H3,(H,15,17)
InChIKeyYYHJTKQQSOIATJ-UHFFFAOYSA-N
XLogP1.30
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-N-[4-(methanesulfonamido)-3-methylphenyl]butanamide
CID 79813982
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methylpropanamide
CID 34169606
N-(4-bromo-3-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834851
N-(3-iodo-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834513
2-methyl-5-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 63654554
N-[4-(methanesulfonamido)-3-methylphenyl]but-2-enamide
CID 112727081
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
N-[3-(dimethylamino)-4-methylphenyl]-2-methyl-2-(methylamino)propanamide
CID 115377382
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]propanamide
CID 43710308
2-methyl-2-(methylamino)-N-(4-methylsulfonylphenyl)propanamide
CID 55121970
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-methylpentanamide
CID 119739311
N-[4-[2-(tert-butylamino)ethylamino]-2-methylphenyl]methanesulfonamide
CID 107445229

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide (CID 62835077) is N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1.
What is the InChIKey of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide?
The InChIKey is YYHJTKQQSOIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-8-10(15-12(17)13(2,3)14-4)6-7-11(9)16-20(5,18)19/h6-8,14,16H,1-5H3,(H,15,17).
What are the key properties of N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide?
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 299.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 62835077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).