2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide

C14H12N2O2S — CID 2520951

IUPAC2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H12N2O2S/c15-8-11-3-5-12(6-4-11)18-10-14(17)16-9-13-2-1-7-19-13/h1-7H,9-10H2,(H,16,17)
InChIKeyOLDQNVNKSKWQEW-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide

2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2520951) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2520951
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H12N2O2S/c15-8-11-3-5-12(6-4-11)18-10-14(17)16-9-13-2-1-7-19-13/h1-7H,9-10H2,(H,16,17)
InChIKeyOLDQNVNKSKWQEW-UHFFFAOYSA-N
XLogP2.31
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
2-(4-cyanophenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 47086830
N-[(3-bromothiophen-2-yl)methyl]-2-(4-cyanophenoxy)acetamide
CID 78986000
2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9380947
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884862
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-cyanophenoxy)acetate
CID 9275268
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
N-[(3-bromophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 60739831
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
2-(4-cyanophenoxy)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 62847779

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 2520951) is 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide is N#Cc1ccc(OCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OLDQNVNKSKWQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-8-11-3-5-12(6-4-11)18-10-14(17)16-9-13-2-1-7-19-13/h1-7H,9-10H2,(H,16,17).
What are the key properties of 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 272.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2520951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).