2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide

C20H23NO8S2 — CID 66992457

IUPAC2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide
SMILESCOc1cc(O)cc(OC)c1C=CS(=O)NS(=O)C=Cc1c(OC)cc(O)cc1OC
InChIInChI=1S/C20H23NO8S2/c1-26-17-9-13(22)10-18(27-2)15(17)5-7-30(24)21-31(25)8-6-16-19(28-3)11-14(23)12-20(16)29-4/h5-12,21-23H,1-4H3
InChIKeyHNGGWOXPUNIENR-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.69
Rot. Bonds10

About 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide

2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide (PubChem CID 66992457) has the molecular formula C20H23NO8S2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide.

Molecular Properties

Compound Name2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide
PubChem CID66992457
Molecular FormulaC20H23NO8S2
Molecular Weight469.54 g/mol
Exact Mass469.09
IUPAC Name2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide
SMILESCOc1cc(O)cc(OC)c1C=CS(=O)NS(=O)C=Cc1c(OC)cc(O)cc1OC
InChIInChI=1S/C20H23NO8S2/c1-26-17-9-13(22)10-18(27-2)15(17)5-7-30(24)21-31(25)8-6-16-19(28-3)11-14(23)12-20(16)29-4/h5-12,21-23H,1-4H3
InChIKeyHNGGWOXPUNIENR-UHFFFAOYSA-N
XLogP2.69
TPSA123.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
The IUPAC name of 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide (CID 66992457) is 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide.
What is the SMILES notation for 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
The canonical SMILES for 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide is COc1cc(O)cc(OC)c1C=CS(=O)NS(=O)C=Cc1c(OC)cc(O)cc1OC.
What is the InChIKey of 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
The InChIKey is HNGGWOXPUNIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO8S2/c1-26-17-9-13(22)10-18(27-2)15(17)5-7-30(24)21-31(25)8-6-16-19(28-3)11-14(23)12-20(16)29-4/h5-12,21-23H,1-4H3.
What are the key properties of 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide has a molecular weight of 469.54 g/mol, XLogP of 2.69, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide is sourced from PubChem (CID 66992457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).