2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C15H14N2O3S — CID 2492392

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCc1cccs1
InChIInChI=1S/C15H14N2O3S/c1-19-14-7-11(8-16)4-5-13(14)20-10-15(18)17-9-12-3-2-6-21-12/h2-7H,9-10H2,1H3,(H,17,18)
InChIKeyHXCGPDGDUKBZHU-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.32
Rot. Bonds6

About 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2492392) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2492392
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)NCc1cccs1
InChIInChI=1S/C15H14N2O3S/c1-19-14-7-11(8-16)4-5-13(14)20-10-15(18)17-9-12-3-2-6-21-12/h2-7H,9-10H2,1H3,(H,17,18)
InChIKeyHXCGPDGDUKBZHU-UHFFFAOYSA-N
XLogP2.32
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 2492392) is 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide is COc1cc(C#N)ccc1OCC(=O)NCc1cccs1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HXCGPDGDUKBZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-19-14-7-11(8-16)4-5-13(14)20-10-15(18)17-9-12-3-2-6-21-12/h2-7H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 2.32, 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2492392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).