ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate

C18H20N2O5S — CID 44775630

IUPACethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccnc1Sc1cc(OC)ccc1OC
InChIInChI=1S/C18H20N2O5S/c1-4-25-16(21)11-20-17(22)13-6-5-9-19-18(13)26-15-10-12(23-2)7-8-14(15)24-3/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyCNFKULIENMLWDF-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.54
Rot. Bonds8

About ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate

ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate (PubChem CID 44775630) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate
PubChem CID44775630
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Nameethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1cccnc1Sc1cc(OC)ccc1OC
InChIInChI=1S/C18H20N2O5S/c1-4-25-16(21)11-20-17(22)13-6-5-9-19-18(13)26-15-10-12(23-2)7-8-14(15)24-3/h5-10H,4,11H2,1-3H3,(H,20,22)
InChIKeyCNFKULIENMLWDF-UHFFFAOYSA-N
XLogP2.54
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate (CID 44775630) is ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1cccnc1Sc1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate?
The InChIKey is CNFKULIENMLWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-4-25-16(21)11-20-17(22)13-6-5-9-19-18(13)26-15-10-12(23-2)7-8-14(15)24-3/h5-10H,4,11H2,1-3H3,(H,20,22).
What are the key properties of ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate?
ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate has a molecular weight of 376.43 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]amino]acetate is sourced from PubChem (CID 44775630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).