[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate

C15H14ClNO4S — CID 2121143

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C15H14ClNO4S/c16-11-3-5-12(6-4-11)20-10-15(19)21-9-14(18)17-8-13-2-1-7-22-13/h1-7H,8-10H2,(H,17,18)
InChIKeyOKUPWVYKOKJWSY-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.64
Rot. Bonds7

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2121143) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2121143
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NCc1cccs1
InChIInChI=1S/C15H14ClNO4S/c16-11-3-5-12(6-4-11)20-10-15(19)21-9-14(18)17-8-13-2-1-7-22-13/h1-7H,8-10H2,(H,17,18)
InChIKeyOKUPWVYKOKJWSY-UHFFFAOYSA-N
XLogP2.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate (CID 2121143) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is OKUPWVYKOKJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c16-11-3-5-12(6-4-11)20-10-15(19)21-9-14(18)17-8-13-2-1-7-22-13/h1-7H,8-10H2,(H,17,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 339.80 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2121143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).