2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide

C17H19NO2S — CID 110741722

IUPAC2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
SMILESCCOc1ccc(CC(=O)NC2CC2c2cccs2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-20-13-7-5-12(6-8-13)10-17(19)18-15-11-14(15)16-4-3-9-21-16/h3-9,14-15H,2,10-11H2,1H3,(H,18,19)
InChIKeyZPYOBJLDOTXHRM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.36
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide

2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide (PubChem CID 110741722) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
PubChem CID110741722
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
SMILESCCOc1ccc(CC(=O)NC2CC2c2cccs2)cc1
InChIInChI=1S/C17H19NO2S/c1-2-20-13-7-5-12(6-8-13)10-17(19)18-15-11-14(15)16-4-3-9-21-16/h3-9,14-15H,2,10-11H2,1H3,(H,18,19)
InChIKeyZPYOBJLDOTXHRM-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide (CID 110741722) is 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide is CCOc1ccc(CC(=O)NC2CC2c2cccs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
The InChIKey is ZPYOBJLDOTXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-20-13-7-5-12(6-8-13)10-17(19)18-15-11-14(15)16-4-3-9-21-16/h3-9,14-15H,2,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide?
2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2-thiophen-2-ylcyclopropyl)acetamide is sourced from PubChem (CID 110741722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).