(Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide

C18H19NO6S2 — CID 57480551

IUPAC(Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide
SMILESCOc1ccc(/C=C\S(=O)NS(=O)/C=C/c2ccc(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/b9-7-,10-8+
InChIKeyCKZQJUZXQWGHSD-FKJILZIQSA-N
MW409.49 g/mol
LogP2.67
Rot. Bonds8

About (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide

(Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide (PubChem CID 57480551) has the molecular formula C18H19NO6S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide.

Molecular Properties

Compound Name(Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide
PubChem CID57480551
Molecular FormulaC18H19NO6S2
Molecular Weight409.49 g/mol
Exact Mass409.07
IUPAC Name(Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide
SMILESCOc1ccc(/C=C\S(=O)NS(=O)/C=C/c2ccc(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/b9-7-,10-8+
InChIKeyCKZQJUZXQWGHSD-FKJILZIQSA-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 (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide with MolForge

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Related Compounds

2-(3-hydroxy-4-methoxyphenyl)-N-[2-(3-hydroxy-4-methoxyphenyl)ethenylsulfinyl]ethenesulfinamide
CID 66992649
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 (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide?
The IUPAC name of (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide (CID 57480551) is (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide.
What is the SMILES notation for (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide?
The canonical SMILES for (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide is COc1ccc(/C=C\S(=O)NS(=O)/C=C/c2ccc(OC)c(O)c2)cc1O.
What is the InChIKey of (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide?
The InChIKey is CKZQJUZXQWGHSD-FKJILZIQSA-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/b9-7-,10-8+.
What are the key properties of (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide?
(Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide 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 (Z)-2-(3-hydroxy-4-methoxyphenyl)-N-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfinylethenesulfinamide is sourced from PubChem (CID 57480551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).