2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide

C12H18N2O2S — CID 115179753

IUPAC2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCCSc1ccc(N(C)C(=O)C(N)CO)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-17-10-6-4-9(5-7-10)14(2)12(16)11(13)8-15/h4-7,11,15H,3,8,13H2,1-2H3
InChIKeyOVLXDMGVGWKNJW-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.08
Rot. Bonds5

About 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide

2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115179753) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115179753
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCCSc1ccc(N(C)C(=O)C(N)CO)cc1
InChIInChI=1S/C12H18N2O2S/c1-3-17-10-6-4-9(5-7-10)14(2)12(16)11(13)8-15/h4-7,11,15H,3,8,13H2,1-2H3
InChIKeyOVLXDMGVGWKNJW-UHFFFAOYSA-N
XLogP1.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide 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-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 115179752
2-amino-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
2-cyano-N-(4-ethylsulfanylphenyl)-N-methylbutanamide
CID 115188241
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
3-cyano-N-(4-ethylsulfanylphenyl)-N-methylpropanamide
CID 115173680
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
2-(4-ethylsulfanyl-N-methylanilino)propanoic acid
CID 117041875
4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
N-(4-ethylsulfanylphenyl)-N-methylazetidine-3-carboxamide
CID 115158779
N-(4-ethylsulfanylphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165672
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide (CID 115179753) is 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide is CCSc1ccc(N(C)C(=O)C(N)CO)cc1.
What is the InChIKey of 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is OVLXDMGVGWKNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-17-10-6-4-9(5-7-10)14(2)12(16)11(13)8-15/h4-7,11,15H,3,8,13H2,1-2H3.
What are the key properties of 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide?
2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 254.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115179753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).