6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

C16H23NO4S — CID 90394098

IUPAC6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
SMILESCCOC(=O)N1CCc2c(sc(C(C)(C)C)c2C(=O)OC)C1
InChIInChI=1S/C16H23NO4S/c1-6-21-15(19)17-8-7-10-11(9-17)22-13(16(2,3)4)12(10)14(18)20-5/h6-9H2,1-5H3
InChIKeyWVJBQOLDURDYPI-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.35
Rot. Bonds2

About 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate (PubChem CID 90394098) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.

Molecular Properties

Compound Name6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
PubChem CID90394098
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
SMILESCCOC(=O)N1CCc2c(sc(C(C)(C)C)c2C(=O)OC)C1
InChIInChI=1S/C16H23NO4S/c1-6-21-15(19)17-8-7-10-11(9-17)22-13(16(2,3)4)12(10)14(18)20-5/h6-9H2,1-5H3
InChIKeyWVJBQOLDURDYPI-UHFFFAOYSA-N
XLogP3.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate with MolForge

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Related Compounds

6-O-ethyl 3-O-methyl 2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4641772
6-O-tert-butyl 3-O-ethyl 2-acetamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 57384496
6-O-tert-butyl 3-O-methyl 2-acetamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 71007517
6-O-ethyl 3-O-methyl 2-[(4-ethylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41044410
6-O-ethyl 3-O-methyl 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 16811092
6-O-ethyl 3-O-methyl 2-[(2-cyclohexylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 43993294
diethyl 2-[(2-acetylsulfanylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 16949186
6-O-tert-butyl 2-O-methyl 3-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxylate
CID 137429955
6-O-ethyl 3-O-methyl 2-[(2-benzylsulfonylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 16824338
6-O-ethyl 3-O-methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 3339735
6-O-ethyl 3-O-methyl 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 43993370
6-O-ethyl 3-O-methyl 2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4188708

Frequently Asked Questions

What is the IUPAC name of 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate?
The IUPAC name of 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate (CID 90394098) is 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate.
What is the SMILES notation for 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate?
The canonical SMILES for 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate is CCOC(=O)N1CCc2c(sc(C(C)(C)C)c2C(=O)OC)C1.
What is the InChIKey of 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate?
The InChIKey is WVJBQOLDURDYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-6-21-15(19)17-8-7-10-11(9-17)22-13(16(2,3)4)12(10)14(18)20-5/h6-9H2,1-5H3.
What are the key properties of 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate?
6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate has a molecular weight of 325.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-ethyl 3-O-methyl 2-tert-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate is sourced from PubChem (CID 90394098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).