methyl 3-acetamidothiophene-2-carboxylate

C8H9NO3S — CID 729216

IUPACmethyl 3-acetamidothiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(C)=O
InChIInChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyVVGYLIJOPUUXJN-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.49
Rot. Bonds2

About methyl 3-acetamidothiophene-2-carboxylate

methyl 3-acetamidothiophene-2-carboxylate (PubChem CID 729216) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is methyl 3-acetamidothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-acetamidothiophene-2-carboxylate
PubChem CID729216
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Namemethyl 3-acetamidothiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(C)=O
InChIInChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyVVGYLIJOPUUXJN-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

Analyze methyl 3-acetamidothiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetamidothiophene-2-carboxylate?
The IUPAC name of methyl 3-acetamidothiophene-2-carboxylate (CID 729216) is methyl 3-acetamidothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-acetamidothiophene-2-carboxylate?
The canonical SMILES for methyl 3-acetamidothiophene-2-carboxylate is COC(=O)c1sccc1NC(C)=O.
What is the InChIKey of methyl 3-acetamidothiophene-2-carboxylate?
The InChIKey is VVGYLIJOPUUXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5(10)9-6-3-4-13-7(6)8(11)12-2/h3-4H,1-2H3,(H,9,10).
What are the key properties of methyl 3-acetamidothiophene-2-carboxylate?
methyl 3-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 3-acetamidothiophene-2-carboxylate is sourced from PubChem (CID 729216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).