ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate

C19H17NO6S — CID 8521606

IUPACethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C19H17NO6S/c1-2-24-19(23)17-13(12-6-3-4-7-14(12)26-17)11-25-16(21)10-20-18(22)15-8-5-9-27-15/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyDBTRMPAGXJSWJZ-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.14
Rot. Bonds7

About ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 8521606) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID8521606
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Nameethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C19H17NO6S/c1-2-24-19(23)17-13(12-6-3-4-7-14(12)26-17)11-25-16(21)10-20-18(22)15-8-5-9-27-15/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyDBTRMPAGXJSWJZ-UHFFFAOYSA-N
XLogP3.14
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate (CID 8521606) is ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1cccs1.
What is the InChIKey of ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is DBTRMPAGXJSWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-2-24-19(23)17-13(12-6-3-4-7-14(12)26-17)11-25-16(21)10-20-18(22)15-8-5-9-27-15/h3-9H,2,10-11H2,1H3,(H,20,22).
What are the key properties of ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8521606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).