2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide

C19H18N2O3S — CID 75467334

IUPAC2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccccc2SCCC#N)c1
InChIInChI=1S/C19H18N2O3S/c1-14(22)15-6-4-7-16(12-15)24-13-19(23)21-17-8-2-3-9-18(17)25-11-5-10-20/h2-4,6-9,12H,5,11,13H2,1H3,(H,21,23)
InChIKeyQGJOHLFSKMROSU-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.91
Rot. Bonds8

About 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide

2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide (PubChem CID 75467334) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide
PubChem CID75467334
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2ccccc2SCCC#N)c1
InChIInChI=1S/C19H18N2O3S/c1-14(22)15-6-4-7-16(12-15)24-13-19(23)21-17-8-2-3-9-18(17)25-11-5-10-20/h2-4,6-9,12H,5,11,13H2,1H3,(H,21,23)
InChIKeyQGJOHLFSKMROSU-UHFFFAOYSA-N
XLogP3.91
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-cyanoethylsulfanyl)phenyl]-2-propan-2-ylsulfanylacetamide
CID 75467270
2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 2594661
methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 7965502
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002
3-acetyl-N-[2-(2-cyanoethylsulfanyl)phenyl]-4-methylbenzamide
CID 99840514
2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7859296
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
2-(3-acetylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2454873
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide (CID 75467334) is 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide is CC(=O)c1cccc(OCC(=O)Nc2ccccc2SCCC#N)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide?
The InChIKey is QGJOHLFSKMROSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-14(22)15-6-4-7-16(12-15)24-13-19(23)21-17-8-2-3-9-18(17)25-11-5-10-20/h2-4,6-9,12H,5,11,13H2,1H3,(H,21,23).
What are the key properties of 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide?
2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[2-(2-cyanoethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 75467334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).