(2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate

C13H11NO4S2 — CID 652307

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCC(=O)c1cccs1
InChIInChI=1S/C13H11NO4S2/c15-9(10-3-1-5-19-10)8-18-12(16)7-14-13(17)11-4-2-6-20-11/h1-6H,7-8H2,(H,14,17)
InChIKeyWRJMWPZDOPULMY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.97
Rot. Bonds6

About (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate

(2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate (PubChem CID 652307) has the molecular formula C13H11NO4S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate
PubChem CID652307
Molecular FormulaC13H11NO4S2
Molecular Weight309.37 g/mol
Exact Mass309.01
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCC(=O)c1cccs1
InChIInChI=1S/C13H11NO4S2/c15-9(10-3-1-5-19-10)8-18-12(16)7-14-13(17)11-4-2-6-20-11/h1-6H,7-8H2,(H,14,17)
InChIKeyWRJMWPZDOPULMY-UHFFFAOYSA-N
XLogP1.97
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate (CID 652307) is (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)OCC(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is WRJMWPZDOPULMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S2/c15-9(10-3-1-5-19-10)8-18-12(16)7-14-13(17)11-4-2-6-20-11/h1-6H,7-8H2,(H,14,17).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate?
(2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 309.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 652307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).