[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate

C16H13NO4S — CID 7193750

IUPAC[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NCc1cccs1
InChIInChI=1S/C16H13NO4S/c18-15(17-9-12-5-3-7-22-12)10-20-16(19)14-8-11-4-1-2-6-13(11)21-14/h1-8H,9-10H2,(H,17,18)
InChIKeyWFLDULCHNCUGSC-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.97
Rot. Bonds5

About [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193750) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate
PubChem CID7193750
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NCc1cccs1
InChIInChI=1S/C16H13NO4S/c18-15(17-9-12-5-3-7-22-12)10-20-16(19)14-8-11-4-1-2-6-13(11)21-14/h1-8H,9-10H2,(H,17,18)
InChIKeyWFLDULCHNCUGSC-UHFFFAOYSA-N
XLogP2.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.97
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] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate (CID 7193750) is [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)NCc1cccs1.
What is the InChIKey of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate?
The InChIKey is WFLDULCHNCUGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c18-15(17-9-12-5-3-7-22-12)10-20-16(19)14-8-11-4-1-2-6-13(11)21-14/h1-8H,9-10H2,(H,17,18).
What are the key properties of [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate?
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-benzofuran-2-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 2.97, 5 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] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).