(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide

C23H27NO8S — CID 11554730

IUPAC(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide
SMILESCOc1cc(OC)c(/C=C/C(=O)NS(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H27NO8S/c1-27-15-11-19(29-3)17(20(12-15)30-4)7-8-23(25)24-33(26)10-9-18-21(31-5)13-16(28-2)14-22(18)32-6/h7-14H,1-6H3,(H,24,25)/b8-7+,10-9+
InChIKeyWWODLFBONNCQMW-XBLVEGMJSA-N
MW477.54 g/mol
LogP3.20
Rot. Bonds11

About (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide

(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide (PubChem CID 11554730) has the molecular formula C23H27NO8S and a molecular weight of 477.54 g/mol. Its IUPAC name is (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide
PubChem CID11554730
Molecular FormulaC23H27NO8S
Molecular Weight477.54 g/mol
Exact Mass477.15
IUPAC Name(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide
SMILESCOc1cc(OC)c(/C=C/C(=O)NS(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H27NO8S/c1-27-15-11-19(29-3)17(20(12-15)30-4)7-8-23(25)24-33(26)10-9-18-21(31-5)13-16(28-2)14-22(18)32-6/h7-14H,1-6H3,(H,24,25)/b8-7+,10-9+
InChIKeyWWODLFBONNCQMW-XBLVEGMJSA-N
XLogP3.20
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide with MolForge

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Related Compounds

(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
4-(2,4,6-trimethoxyphenyl)-1-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylbut-3-en-2-one
CID 69485084
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]sulfinylprop-2-enamide
CID 57480509
tert-butyl (E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
CID 42640185
2-(4-hydroxy-2,6-dimethoxyphenyl)-N-[2-(4-hydroxy-2,6-dimethoxyphenyl)ethenylsulfinyl]ethenesulfinamide
CID 66992457
N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 68957635
1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 69051242
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl] trifluoromethanesulfonate
CID 91601755
(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal
CID 51040851
(E)-1-(2,5-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 11046554
[2-methoxy-5-[3-(2,4,6-trimethoxyphenyl)prop-2-enoylamino]phenyl] dihydrogen phosphate
CID 67102938

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide?
The IUPAC name of (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide (CID 11554730) is (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide?
The canonical SMILES for (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide is COc1cc(OC)c(/C=C/C(=O)NS(=O)/C=C/c2c(OC)cc(OC)cc2OC)c(OC)c1.
What is the InChIKey of (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide?
The InChIKey is WWODLFBONNCQMW-XBLVEGMJSA-N. The full InChI is InChI=1S/C23H27NO8S/c1-27-15-11-19(29-3)17(20(12-15)30-4)7-8-23(25)24-33(26)10-9-18-21(31-5)13-16(28-2)14-22(18)32-6/h7-14H,1-6H3,(H,24,25)/b8-7+,10-9+.
What are the key properties of (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide?
(E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide has a molecular weight of 477.54 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4,6-trimethoxyphenyl)-N-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfinylprop-2-enamide is sourced from PubChem (CID 11554730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).