methyl 3-formamido-4-methylthiophene-2-carboxylate

C8H9NO3S — CID 2777642

IUPACmethyl 3-formamido-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC=O
InChIInChI=1S/C8H9NO3S/c1-5-3-13-7(8(11)12-2)6(5)9-4-10/h3-4H,1-2H3,(H,9,10)
InChIKeyPWSUQEJRFKOGJV-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.41
Rot. Bonds3

About methyl 3-formamido-4-methylthiophene-2-carboxylate

methyl 3-formamido-4-methylthiophene-2-carboxylate (PubChem CID 2777642) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is methyl 3-formamido-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-formamido-4-methylthiophene-2-carboxylate
PubChem CID2777642
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Namemethyl 3-formamido-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC=O
InChIInChI=1S/C8H9NO3S/c1-5-3-13-7(8(11)12-2)6(5)9-4-10/h3-4H,1-2H3,(H,9,10)
InChIKeyPWSUQEJRFKOGJV-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-formamido-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-formamido-4-methylthiophene-2-carboxylate (CID 2777642) is methyl 3-formamido-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-formamido-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-formamido-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC=O.
What is the InChIKey of methyl 3-formamido-4-methylthiophene-2-carboxylate?
The InChIKey is PWSUQEJRFKOGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5-3-13-7(8(11)12-2)6(5)9-4-10/h3-4H,1-2H3,(H,9,10).
What are the key properties of methyl 3-formamido-4-methylthiophene-2-carboxylate?
methyl 3-formamido-4-methylthiophene-2-carboxylate has a molecular weight of 199.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formamido-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 2777642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).