(2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate

C15H13NO4S — CID 3154684

IUPAC(2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)c1cccs1
InChIInChI=1S/C15H13NO4S/c17-12(13-7-4-8-21-13)10-20-14(18)9-16-15(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,19)
InChIKeyQMYHVOMBCURSSH-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.90
Rot. Bonds6

About (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate

(2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate (PubChem CID 3154684) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
PubChem CID3154684
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)c1cccs1
InChIInChI=1S/C15H13NO4S/c17-12(13-7-4-8-21-13)10-20-14(18)9-16-15(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,19)
InChIKeyQMYHVOMBCURSSH-UHFFFAOYSA-N
XLogP1.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.90
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-ylethyl) 2-benzamidoacetate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate (CID 3154684) is (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCC(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate?
The InChIKey is QMYHVOMBCURSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-12(13-7-4-8-21-13)10-20-14(18)9-16-15(19)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,19).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate?
(2-oxo-2-thiophen-2-ylethyl) 2-benzamidoacetate has a molecular weight of 303.34 g/mol, XLogP of 1.90, 6 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-ylethyl) 2-benzamidoacetate is sourced from PubChem (CID 3154684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).