2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C15H14N2O2S — CID 7742348

IUPAC2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccccc1C#N)c1cccs1
InChIInChI=1S/C15H14N2O2S/c1-11(14-7-4-8-20-14)17-15(18)10-19-13-6-3-2-5-12(13)9-16/h2-8,11H,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyBGUJRVNOTYTGQP-NSHDSACASA-N
MW286.36 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 7742348) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID7742348
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccccc1C#N)c1cccs1
InChIInChI=1S/C15H14N2O2S/c1-11(14-7-4-8-20-14)17-15(18)10-19-13-6-3-2-5-12(13)9-16/h2-8,11H,10H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyBGUJRVNOTYTGQP-NSHDSACASA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(1-thiophen-2-ylpropyl)acetamide
CID 61074327
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 16511688
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 16529552
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 7742348) is 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)COc1ccccc1C#N)c1cccs1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is BGUJRVNOTYTGQP-NSHDSACASA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11(14-7-4-8-20-14)17-15(18)10-19-13-6-3-2-5-12(13)9-16/h2-8,11H,10H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 7742348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).