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

C12H18N2OS — CID 79196419

IUPAC2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C12H18N2OS/c1-9(8-13-2)12(15)14-10-6-4-5-7-11(10)16-3/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyBMQINTVECRNIOQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.20
Rot. Bonds5

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

2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 79196419) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID79196419
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide
SMILESCNCC(C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C12H18N2OS/c1-9(8-13-2)12(15)14-10-6-4-5-7-11(10)16-3/h4-7,9,13H,8H2,1-3H3,(H,14,15)
InChIKeyBMQINTVECRNIOQ-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide;hydrochloride
CID 119674747
N-[2-(methanesulfonamido)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195522
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
CID 78762081
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
2-methyl-3-(methylamino)-N-(2-thiophen-2-ylphenyl)propanamide
CID 79195857
2-methyl-3-(methylamino)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 79196365
2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
CID 119671136
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(2-methylsulfanylphenyl)butanamide
CID 107645748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide (CID 79196419) is 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide is CNCC(C)C(=O)Nc1ccccc1SC.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is BMQINTVECRNIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(8-13-2)12(15)14-10-6-4-5-7-11(10)16-3/h4-7,9,13H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide?
2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 238.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 79196419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).