methyl 5-acetamidothiophene-2-carboxylate

C8H9NO3S — CID 13205583

IUPACmethyl 5-acetamidothiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C8H9NO3S/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyGPZVYYUYNCEQJD-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.49
Rot. Bonds2

About methyl 5-acetamidothiophene-2-carboxylate

methyl 5-acetamidothiophene-2-carboxylate (PubChem CID 13205583) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is methyl 5-acetamidothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetamidothiophene-2-carboxylate
PubChem CID13205583
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Namemethyl 5-acetamidothiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(C)=O)s1
InChIInChI=1S/C8H9NO3S/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyGPZVYYUYNCEQJD-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamidothiophene-2-carboxylate?
The IUPAC name of methyl 5-acetamidothiophene-2-carboxylate (CID 13205583) is methyl 5-acetamidothiophene-2-carboxylate.
What is the SMILES notation for methyl 5-acetamidothiophene-2-carboxylate?
The canonical SMILES for methyl 5-acetamidothiophene-2-carboxylate is COC(=O)c1ccc(NC(C)=O)s1.
What is the InChIKey of methyl 5-acetamidothiophene-2-carboxylate?
The InChIKey is GPZVYYUYNCEQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10).
What are the key properties of methyl 5-acetamidothiophene-2-carboxylate?
methyl 5-acetamidothiophene-2-carboxylate has a molecular weight of 199.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamidothiophene-2-carboxylate is sourced from PubChem (CID 13205583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).