1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene

C24H24O4S2 — CID 162397303

IUPAC1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene
SMILESCOc1ccc(/C(=C\Sc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H24O4S2/c1-17-5-10-20(11-6-17)29-16-24(19-9-14-22(27-3)23(15-19)28-4)30(25,26)21-12-7-18(2)8-13-21/h5-16H,1-4H3/b24-16+
InChIKeyOWPJSSBSQWOACA-LFVJCYFKSA-N
MW440.59 g/mol
LogP5.89
Rot. Bonds7

About 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene

1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene (PubChem CID 162397303) has the molecular formula C24H24O4S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene
PubChem CID162397303
Molecular FormulaC24H24O4S2
Molecular Weight440.59 g/mol
Exact Mass440.11
IUPAC Name1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene
SMILESCOc1ccc(/C(=C\Sc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H24O4S2/c1-17-5-10-20(11-6-17)29-16-24(19-9-14-22(27-3)23(15-19)28-4)30(25,26)21-12-7-18(2)8-13-21/h5-16H,1-4H3/b24-16+
InChIKeyOWPJSSBSQWOACA-LFVJCYFKSA-N
XLogP5.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene (CID 162397303) is 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene is COc1ccc(/C(=C\Sc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene?
The InChIKey is OWPJSSBSQWOACA-LFVJCYFKSA-N. The full InChI is InChI=1S/C24H24O4S2/c1-17-5-10-20(11-6-17)29-16-24(19-9-14-22(27-3)23(15-19)28-4)30(25,26)21-12-7-18(2)8-13-21/h5-16H,1-4H3/b24-16+.
What are the key properties of 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene?
1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene has a molecular weight of 440.59 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-2-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylethenyl]benzene is sourced from PubChem (CID 162397303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).