4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate

C17H18N2O6S — CID 164627268

IUPAC4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccccn2)sc(C(=O)OC)c1C
InChIInChI=1S/C17H18N2O6S/c1-4-24-16(21)13-10(2)14(17(22)23-3)26-15(13)19-11(20)9-25-12-7-5-6-8-18-12/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKeyWXJBBHSEACYGHD-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.43
Rot. Bonds7

About 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate

4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate (PubChem CID 164627268) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate
PubChem CID164627268
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccccn2)sc(C(=O)OC)c1C
InChIInChI=1S/C17H18N2O6S/c1-4-24-16(21)13-10(2)14(17(22)23-3)26-15(13)19-11(20)9-25-12-7-5-6-8-18-12/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKeyWXJBBHSEACYGHD-UHFFFAOYSA-N
XLogP2.43
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate 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 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate (CID 164627268) is 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate is CCOC(=O)c1c(NC(=O)COc2ccccn2)sc(C(=O)OC)c1C.
What is the InChIKey of 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate?
The InChIKey is WXJBBHSEACYGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-4-24-16(21)13-10(2)14(17(22)23-3)26-15(13)19-11(20)9-25-12-7-5-6-8-18-12/h5-8H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate?
4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate has a molecular weight of 378.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 164627268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).