2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide

C19H23NO2S — CID 142168931

IUPAC2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide
SMILESCCSC(C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-5-23-18(15-9-7-6-8-10-15)19(22)20-16-11-12(2)17(21)14(4)13(16)3/h6-11,18,21H,5H2,1-4H3,(H,20,22)
InChIKeyJDSKWQZAIFRECD-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.75
Rot. Bonds5

About 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide

2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide (PubChem CID 142168931) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide
PubChem CID142168931
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide
SMILESCCSC(C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1
InChIInChI=1S/C19H23NO2S/c1-5-23-18(15-9-7-6-8-10-15)19(22)20-16-11-12(2)17(21)14(4)13(16)3/h6-11,18,21H,5H2,1-4H3,(H,20,22)
InChIKeyJDSKWQZAIFRECD-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
N-(2,5-dimethylphenyl)-2-(furan-2-ylmethylsulfanyl)-2-phenylacetamide
CID 78627476
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(2-hydroxy-4-methylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16573615
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
CID 106834835
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] pyrrolidine-1-carbodithioate
CID 42972853
N-(2-hydroxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 42918814
N-[4-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782001
(2S)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 2124641
[4-methyl-1-[[1-[[1-(methylideneamino)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxooctan-3-yl] 3-[[4-[1-dodecylsulfanyl-2-(4-hydroxy-2,3,5-trimethylanilino)-2-oxoethyl]phenyl]methyl]pentanoate
CID 123264029
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 7183598

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide (CID 142168931) is 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide is CCSC(C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide?
The InChIKey is JDSKWQZAIFRECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-5-23-18(15-9-7-6-8-10-15)19(22)20-16-11-12(2)17(21)14(4)13(16)3/h6-11,18,21H,5H2,1-4H3,(H,20,22).
What are the key properties of 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide?
2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide has a molecular weight of 329.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 142168931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).