2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide

C16H20N2O2S — CID 103709536

IUPAC2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide
SMILESCCSC1CCC(NC(=O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H20N2O2S/c1-2-21-15-8-5-13(9-15)18-16(19)11-20-14-6-3-12(10-17)4-7-14/h3-4,6-7,13,15H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyAOLJXSZTQAASME-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.73
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide

2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide (PubChem CID 103709536) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide
PubChem CID103709536
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide
SMILESCCSC1CCC(NC(=O)COc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H20N2O2S/c1-2-21-15-8-5-13(9-15)18-16(19)11-20-14-6-3-12(10-17)4-7-14/h3-4,6-7,13,15H,2,5,8-9,11H2,1H3,(H,18,19)
InChIKeyAOLJXSZTQAASME-UHFFFAOYSA-N
XLogP2.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-(3-ethoxycyclobutyl)acetamide
CID 102610591
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088
methyl (1S,2R,3R,4S)-3-[[2-(4-cyanophenoxy)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 124853790
2-(4-chlorophenoxy)-N-(3-methylcyclopentyl)acetamide
CID 90888344
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
CID 95990381
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
N'-[2-(4-cyanophenoxy)acetyl]-2-methylpropanehydrazide
CID 24672619
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
N-(butan-2-ylideneamino)-2-(4-cyanophenoxy)acetamide
CID 3686210
N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide
CID 153167840
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 7842944

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide (CID 103709536) is 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide is CCSC1CCC(NC(=O)COc2ccc(C#N)cc2)C1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide?
The InChIKey is AOLJXSZTQAASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-21-15-8-5-13(9-15)18-16(19)11-20-14-6-3-12(10-17)4-7-14/h3-4,6-7,13,15H,2,5,8-9,11H2,1H3,(H,18,19).
What are the key properties of 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide?
2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide has a molecular weight of 304.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3-ethylsulfanylcyclopentyl)acetamide is sourced from PubChem (CID 103709536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).