2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide

C16H16N2O3S — CID 16511688

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(C)c1cccs1
InChIInChI=1S/C16H16N2O3S/c1-11(15-4-3-7-22-15)18-16(19)10-21-13-6-5-12(9-17)8-14(13)20-2/h3-8,11H,10H2,1-2H3,(H,18,19)
InChIKeyDXFGIYTVJLVALN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.88
Rot. Bonds6

About 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide

2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 16511688) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID16511688
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NC(C)c1cccs1
InChIInChI=1S/C16H16N2O3S/c1-11(15-4-3-7-22-15)18-16(19)10-21-13-6-5-12(9-17)8-14(13)20-2/h3-8,11H,10H2,1-2H3,(H,18,19)
InChIKeyDXFGIYTVJLVALN-UHFFFAOYSA-N
XLogP2.88
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(4-cyano-2-ethoxyphenoxy)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 46465537
2-(4-cyano-2-methoxyphenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43028682
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(4-cyano-2-ethoxyphenoxy)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55391592
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(4-cyano-2-methoxyphenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 9459191
2-(4-cyano-2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51266936
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-(4-cyano-2-methoxyphenoxy)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7757339

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide (CID 16511688) is 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide is COc1cc(C#N)ccc1OCC(=O)NC(C)c1cccs1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is DXFGIYTVJLVALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11(15-4-3-7-22-15)18-16(19)10-21-13-6-5-12(9-17)8-14(13)20-2/h3-8,11H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 16511688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).