5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate

C19H17NO5S — CID 4106475

IUPAC5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cnc2oc(C(=O)OC)cc2c1Sc1ccc(C)cc1
InChIInChI=1S/C19H17NO5S/c1-4-24-18(21)14-10-20-17-13(9-15(25-17)19(22)23-3)16(14)26-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3
InChIKeyBENYYRMGDFRXDT-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.25
Rot. Bonds5

About 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate

5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate (PubChem CID 4106475) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Name5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate
PubChem CID4106475
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1cnc2oc(C(=O)OC)cc2c1Sc1ccc(C)cc1
InChIInChI=1S/C19H17NO5S/c1-4-24-18(21)14-10-20-17-13(9-15(25-17)19(22)23-3)16(14)26-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3
InChIKeyBENYYRMGDFRXDT-UHFFFAOYSA-N
XLogP4.25
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate?
The IUPAC name of 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate (CID 4106475) is 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate.
What is the SMILES notation for 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate?
The canonical SMILES for 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate is CCOC(=O)c1cnc2oc(C(=O)OC)cc2c1Sc1ccc(C)cc1.
What is the InChIKey of 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate?
The InChIKey is BENYYRMGDFRXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-4-24-18(21)14-10-20-17-13(9-15(25-17)19(22)23-3)16(14)26-12-7-5-11(2)6-8-12/h5-10H,4H2,1-3H3.
What are the key properties of 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate?
5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate has a molecular weight of 371.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 2-O-methyl 4-(4-methylphenyl)sulfanylfuro[2,3-b]pyridine-2,5-dicarboxylate is sourced from PubChem (CID 4106475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).