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

C19H19NO6S — CID 57480509

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide
SMILESCOc1cc(/C=C\S(=O)NC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C19H19NO6S/c1-25-17-11-13(3-6-15(17)21)5-8-19(23)20-27(24)10-9-14-4-7-16(22)18(12-14)26-2/h3-12,21-22H,1-2H3,(H,20,23)/b8-5+,10-9-
InChIKeyCROYERVNPRLKRX-JVXHAKPFSA-N
MW389.43 g/mol
LogP2.58
Rot. Bonds7

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

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide (PubChem CID 57480509) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide
PubChem CID57480509
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide
SMILESCOc1cc(/C=C\S(=O)NC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C19H19NO6S/c1-25-17-11-13(3-6-15(17)21)5-8-19(23)20-27(24)10-9-14-4-7-16(22)18(12-14)26-2/h3-12,21-22H,1-2H3,(H,20,23)/b8-5+,10-9-
InChIKeyCROYERVNPRLKRX-JVXHAKPFSA-N
XLogP2.58
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 23625459
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 969516
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-eneperoxoate
CID 155779332
phosphanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;tungsten
CID 58284204
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;silver
CID 174575212
S-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioate
CID 122188493
(E)-N-hydroxy-3-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]phenyl]prop-2-enamide
CID 177379694
4-[(E)-2-[[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylmethylsulfinyl]ethenyl]-2-methoxyphenol
CID 57480449
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
azane;(Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 25050146
3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethenylsulfonyl]prop-2-enamide
CID 66992644
CID 174827534
CID 174827534

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide (CID 57480509) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide is COc1cc(/C=C\S(=O)NC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide?
The InChIKey is CROYERVNPRLKRX-JVXHAKPFSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-25-17-11-13(3-6-15(17)21)5-8-19(23)20-27(24)10-9-14-4-7-16(22)18(12-14)26-2/h3-12,21-22H,1-2H3,(H,20,23)/b8-5+,10-9-.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide?
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide has a molecular weight of 389.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide is sourced from PubChem (CID 57480509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).