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

C14H15NO2S — CID 2092599

IUPAC2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-6-12(7-5-11)17-10-14(16)15-9-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyKMXRKRJXICHWML-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.75
Rot. Bonds5

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

2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2092599) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2092599
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-11-4-6-12(7-5-11)17-10-14(16)15-9-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyKMXRKRJXICHWML-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 2092599) is 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KMXRKRJXICHWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-11-4-6-12(7-5-11)17-10-14(16)15-9-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2092599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).