ethyl 5-acetamido-3-methylthiophene-2-carboxylate

C10H13NO3S — CID 1215212

IUPACethyl 5-acetamido-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(C)=O)cc1C
InChIInChI=1S/C10H13NO3S/c1-4-14-10(13)9-6(2)5-8(15-9)11-7(3)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyFNZQOTACSUUEAD-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.19
Rot. Bonds3

About ethyl 5-acetamido-3-methylthiophene-2-carboxylate

ethyl 5-acetamido-3-methylthiophene-2-carboxylate (PubChem CID 1215212) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is ethyl 5-acetamido-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-3-methylthiophene-2-carboxylate
PubChem CID1215212
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Nameethyl 5-acetamido-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(C)=O)cc1C
InChIInChI=1S/C10H13NO3S/c1-4-14-10(13)9-6(2)5-8(15-9)11-7(3)12/h5H,4H2,1-3H3,(H,11,12)
InChIKeyFNZQOTACSUUEAD-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-acetamido-3-methylthiophene-2-carboxylate (CID 1215212) is ethyl 5-acetamido-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-acetamido-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(C)=O)cc1C.
What is the InChIKey of ethyl 5-acetamido-3-methylthiophene-2-carboxylate?
The InChIKey is FNZQOTACSUUEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-4-14-10(13)9-6(2)5-8(15-9)11-7(3)12/h5H,4H2,1-3H3,(H,11,12).
What are the key properties of ethyl 5-acetamido-3-methylthiophene-2-carboxylate?
ethyl 5-acetamido-3-methylthiophene-2-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 1215212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).