2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide

C18H19NO6S2 — CID 66992649

IUPAC2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide
SMILESCOc1ccc(C=CS(=O)NS(=O)C=Cc2ccc(OC)c(O)c2)cc1O
InChIInChI=1S/C18H19NO6S2/c1-24-17-5-3-13(11-15(17)20)7-9-26(22)19-27(23)10-8-14-4-6-18(25-2)16(21)12-14/h3-12,19-21H,1-2H3
InChIKeyCKZQJUZXQWGHSD-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.67
Rot. Bonds8

About 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide

2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide (PubChem CID 66992649) has the molecular formula C18H19NO6S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide
PubChem CID66992649
Molecular FormulaC18H19NO6S2
Molecular Weight409.49 g/mol
Exact Mass409.07
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide
SMILESCOc1ccc(C=CS(=O)NS(=O)C=Cc2ccc(OC)c(O)c2)cc1O
InChIInChI=1S/C18H19NO6S2/c1-24-17-5-3-13(11-15(17)20)7-9-26(22)19-27(23)10-8-14-4-6-18(25-2)16(21)12-14/h3-12,19-21H,1-2H3
InChIKeyCKZQJUZXQWGHSD-UHFFFAOYSA-N
XLogP2.67
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide with MolForge

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Related Compounds

(Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide
CID 57480551
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide
CID 57480509
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
5-but-1-enyl-2-methoxyphenol
CID 154188368
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673
sodium (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
CID 66849635
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
2-methoxy-5-(2-pyridin-4-ylethenyl)phenol
CID 54474523
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol
CID 57480449

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide (CID 66992649) is 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide is COc1ccc(C=CS(=O)NS(=O)C=Cc2ccc(OC)c(O)c2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
The InChIKey is CKZQJUZXQWGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S2/c1-24-17-5-3-13(11-15(17)20)7-9-26(22)19-27(23)10-8-14-4-6-18(25-2)16(21)12-14/h3-12,19-21H,1-2H3.
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide?
2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide has a molecular weight of 409.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide is sourced from PubChem (CID 66992649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).