2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide

C16H16N2O2S — CID 61074327

IUPAC2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)COc1ccccc1C#N)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-13(15-8-5-9-21-15)18-16(19)11-20-14-7-4-3-6-12(14)10-17/h3-9,13H,2,11H2,1H3,(H,18,19)
InChIKeyUWNCDXUTBSEIFO-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.27
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide

2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide (PubChem CID 61074327) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide
PubChem CID61074327
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide
SMILESCCC(NC(=O)COc1ccccc1C#N)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-13(15-8-5-9-21-15)18-16(19)11-20-14-7-4-3-6-12(14)10-17/h3-9,13H,2,11H2,1H3,(H,18,19)
InChIKeyUWNCDXUTBSEIFO-UHFFFAOYSA-N
XLogP3.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(2-cyanophenoxy)-N-(1-ethoxypropan-2-yl)acetamide
CID 47903365
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
2-(2-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82937600
2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 8500487
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
methyl (3R)-3-[[2-(4-cyanophenoxy)acetyl]amino]-3-thiophen-2-ylpropanoate
CID 94175255

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide (CID 61074327) is 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide is CCC(NC(=O)COc1ccccc1C#N)c1cccs1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide?
The InChIKey is UWNCDXUTBSEIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-13(15-8-5-9-21-15)18-16(19)11-20-14-7-4-3-6-12(14)10-17/h3-9,13H,2,11H2,1H3,(H,18,19).
What are the key properties of 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide?
2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 61074327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).