ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate

C14H15NO4S — CID 711023

IUPACethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)sc2c(OC)cccc12
InChIInChI=1S/C14H15NO4S/c1-4-19-14(17)11-9-6-5-7-10(18-3)12(9)20-13(11)15-8(2)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyYWXRVYOGFMDDRZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.05
Rot. Bonds4

About ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate

ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate (PubChem CID 711023) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate
PubChem CID711023
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Nameethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)sc2c(OC)cccc12
InChIInChI=1S/C14H15NO4S/c1-4-19-14(17)11-9-6-5-7-10(18-3)12(9)20-13(11)15-8(2)16/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyYWXRVYOGFMDDRZ-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate (CID 711023) is ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate is CCOC(=O)c1c(NC(C)=O)sc2c(OC)cccc12.
What is the InChIKey of ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate?
The InChIKey is YWXRVYOGFMDDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-19-14(17)11-9-6-5-7-10(18-3)12(9)20-13(11)15-8(2)16/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate?
ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-7-methoxy-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 711023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).