2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide

C15H20N2O2S — CID 115662181

IUPAC2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
SMILESCCSCCC(C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-3-20-9-8-12(2)17-15(18)11-19-14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyZQOZMJDNJOAHPV-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.58
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide

2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide (PubChem CID 115662181) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
PubChem CID115662181
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide
SMILESCCSCCC(C)NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-3-20-9-8-12(2)17-15(18)11-19-14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyZQOZMJDNJOAHPV-UHFFFAOYSA-N
XLogP2.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-(4-cyanophenoxy)-N-pent-4-yn-2-ylacetamide
CID 115661987
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
2-(4-cyanophenoxy)-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217343
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
2-[[2-(4-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 43091829
2-(4-cyanophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725950
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
2-(4-cyanophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856270

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide (CID 115662181) is 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide is CCSCCC(C)NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The InChIKey is ZQOZMJDNJOAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-20-9-8-12(2)17-15(18)11-19-14-6-4-13(10-16)5-7-14/h4-7,12H,3,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide?
2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(4-ethylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 115662181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).