2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide

C15H16ClNO2S — CID 134014389

IUPAC2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-2-17(10-14-4-3-9-20-14)15(18)11-19-13-7-5-12(16)6-8-13/h3-9H,2,10-11H2,1H3
InChIKeyIPXUAWIPCOLNKF-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 134014389) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID134014389
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-2-17(10-14-4-3-9-20-14)15(18)11-19-13-7-5-12(16)6-8-13/h3-9H,2,10-11H2,1H3
InChIKeyIPXUAWIPCOLNKF-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (CID 134014389) is 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IPXUAWIPCOLNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-2-17(10-14-4-3-9-20-14)15(18)11-19-13-7-5-12(16)6-8-13/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 309.82 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 134014389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).