N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide

C13H21N3O3S — CID 119802651

IUPACN-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(C)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-9-5-6-11(16-20(4,18)19)12(7-9)15-13(17)10(2)8-14-3/h5-7,10,14,16H,8H2,1-4H3,(H,15,17)
InChIKeyLBVLFTAUNDXZHQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.16
Rot. Bonds6

About N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide

N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119802651) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119802651
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1cc(C)ccc1NS(C)(=O)=O
InChIInChI=1S/C13H21N3O3S/c1-9-5-6-11(16-20(4,18)19)12(7-9)15-13(17)10(2)8-14-3/h5-7,10,14,16H,8H2,1-4H3,(H,15,17)
InChIKeyLBVLFTAUNDXZHQ-UHFFFAOYSA-N
XLogP1.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195522
N-[4-(methanesulfonamido)-3-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 79195858
3-amino-N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119802640
N-[2-(methanesulfonamido)-5-methylphenyl]-2-pyridin-3-yloxypropanamide
CID 122142610
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
5-(4-bromophenyl)-N-[2-(methanesulfonamido)-5-methylphenyl]-3-methyl-5-oxopentanamide
CID 166334517
4-methyl-3-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195606
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
2-methyl-3-(methylamino)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]propanamide
CID 119725778
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide (CID 119802651) is N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1cc(C)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is LBVLFTAUNDXZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-5-6-11(16-20(4,18)19)12(7-9)15-13(17)10(2)8-14-3/h5-7,10,14,16H,8H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 299.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119802651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).