2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide

C18H16N2O3S — CID 7859296

IUPAC2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1ccccc1SCC#N
InChIInChI=1S/C18H16N2O3S/c1-13(21)14-6-2-4-8-16(14)23-12-18(22)20-15-7-3-5-9-17(15)24-11-10-19/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyMIENIFXWQTZOBD-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.52
Rot. Bonds7

About 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide

2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide (PubChem CID 7859296) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
PubChem CID7859296
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
SMILESCC(=O)c1ccccc1OCC(=O)Nc1ccccc1SCC#N
InChIInChI=1S/C18H16N2O3S/c1-13(21)14-6-2-4-8-16(14)23-12-18(22)20-15-7-3-5-9-17(15)24-11-10-19/h2-9H,11-12H2,1H3,(H,20,22)
InChIKeyMIENIFXWQTZOBD-UHFFFAOYSA-N
XLogP3.52
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7816078
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-methoxybenzoate
CID 7485676
methyl 4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 7965502
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 8010136
2-(2-acetylphenoxy)-N-(cyanomethyl)acetamide
CID 24701029
2-(4-chloro-3-methylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 2594661
4-O-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239639
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8536179
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984732
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613242
2-(2-acetylphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7859306
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 30047421

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide (CID 7859296) is 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide is CC(=O)c1ccccc1OCC(=O)Nc1ccccc1SCC#N.
What is the InChIKey of 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
The InChIKey is MIENIFXWQTZOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-13(21)14-6-2-4-8-16(14)23-12-18(22)20-15-7-3-5-9-17(15)24-11-10-19/h2-9H,11-12H2,1H3,(H,20,22).
What are the key properties of 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide?
2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylphenoxy)-N-[2-(cyanomethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 7859296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).