diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate

C18H19NO5S — CID 2746946

IUPACdiethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(Sc2cccc(OC)c2)cc(C(=O)OCC)n1
InChIInChI=1S/C18H19NO5S/c1-4-23-17(20)15-10-14(11-16(19-15)18(21)24-5-2)25-13-8-6-7-12(9-13)22-3/h6-11H,4-5H2,1-3H3
InChIKeyILBKJZFDQRQWOM-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.59
Rot. Bonds7

About diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate

diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate (PubChem CID 2746946) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
PubChem CID2746946
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Namediethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate
SMILESCCOC(=O)c1cc(Sc2cccc(OC)c2)cc(C(=O)OCC)n1
InChIInChI=1S/C18H19NO5S/c1-4-23-17(20)15-10-14(11-16(19-15)18(21)24-5-2)25-13-8-6-7-12(9-13)22-3/h6-11H,4-5H2,1-3H3
InChIKeyILBKJZFDQRQWOM-UHFFFAOYSA-N
XLogP3.59
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 7-methoxy-1-phenylsulfanylisoquinoline-3-carboxylate
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ethyl 2-(3-methoxyphenyl)sulfanyl-2-methylpropanoate
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ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
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ethyl 2-[amino-(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylate
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ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
CID 22123590
O-ethyl (3-methoxyphenyl)sulfanylmethanethioate
CID 86037588
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 1-(4-methoxyphenyl)sulfanyl-7-methylisoquinoline-3-carboxylate
CID 132962009
ethyl 2-bromo-4-(4-methoxyphenyl)sulfanylbenzoate
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ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877149

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate?
The IUPAC name of diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate (CID 2746946) is diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate.
What is the SMILES notation for diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate?
The canonical SMILES for diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate is CCOC(=O)c1cc(Sc2cccc(OC)c2)cc(C(=O)OCC)n1.
What is the InChIKey of diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate?
The InChIKey is ILBKJZFDQRQWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-4-23-17(20)15-10-14(11-16(19-15)18(21)24-5-2)25-13-8-6-7-12(9-13)22-3/h6-11H,4-5H2,1-3H3.
What are the key properties of diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate?
diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate has a molecular weight of 361.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(3-methoxyphenyl)sulfanylpyridine-2,6-dicarboxylate is sourced from PubChem (CID 2746946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).