methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate

C14H15NO5S — CID 3785155

IUPACmethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)C(C)Oc1c(C(=O)OC)sc2ncccc12
InChIInChI=1S/C14H15NO5S/c1-4-19-13(16)8(2)20-10-9-6-5-7-15-12(9)21-11(10)14(17)18-3/h5-8H,4H2,1-3H3
InChIKeyDYECJZGQRDLUQS-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.41
Rot. Bonds5

About methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate

methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate (PubChem CID 3785155) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate
PubChem CID3785155
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Namemethyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)C(C)Oc1c(C(=O)OC)sc2ncccc12
InChIInChI=1S/C14H15NO5S/c1-4-19-13(16)8(2)20-10-9-6-5-7-15-12(9)21-11(10)14(17)18-3/h5-8H,4H2,1-3H3
InChIKeyDYECJZGQRDLUQS-UHFFFAOYSA-N
XLogP2.41
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-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-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate (CID 3785155) is methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)C(C)Oc1c(C(=O)OC)sc2ncccc12.
What is the InChIKey of methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is DYECJZGQRDLUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-4-19-13(16)8(2)20-10-9-6-5-7-15-12(9)21-11(10)14(17)18-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate?
methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethoxy-1-oxopropan-2-yl)oxythieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 3785155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).