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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Related Compounds

3,4-dimethoxy-N-methyl-N-(4-methylphenyl)sulfonylbenzamide
CID 174695598
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 6173114
(E)-1-(4-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
CID 52949112
[(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 4-methylbenzenesulfonate
CID 59064224
3,4-dimethoxy-N,N-bis(4-methylphenyl)benzenesulfonamide
CID 4626268
3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
ethyl (2E)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyloxyiminoacetate
CID 22648636
[(Z)-2-(4-methylphenyl)sulfonyl-2-phenylethenyl] N,N-dimethylcarbamodithioate
CID 10595768
[2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 3719300
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
methyl 2-[2-methoxy-5-[(4-methylphenyl)sulfonylcarbamoyl]phenoxy]acetate
CID 55824099
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2972175

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).