2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine

C24H23NO2S2 — CID 137346304

IUPAC2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2C(=Cc3ccccc3)SC(c3ccccc3)C2C)cc1
InChIInChI=1S/C24H23NO2S2/c1-18-13-15-22(16-14-18)29(26,27)25-19(2)24(21-11-7-4-8-12-21)28-23(25)17-20-9-5-3-6-10-20/h3-17,19,24H,1-2H3
InChIKeyPFWIQFYMXSCMHR-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.86
Rot. Bonds4

About 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine

2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine (PubChem CID 137346304) has the molecular formula C24H23NO2S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine
PubChem CID137346304
Molecular FormulaC24H23NO2S2
Molecular Weight421.59 g/mol
Exact Mass421.12
IUPAC Name2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2C(=Cc3ccccc3)SC(c3ccccc3)C2C)cc1
InChIInChI=1S/C24H23NO2S2/c1-18-13-15-22(16-14-18)29(26,27)25-19(2)24(21-11-7-4-8-12-21)28-23(25)17-20-9-5-3-6-10-20/h3-17,19,24H,1-2H3
InChIKeyPFWIQFYMXSCMHR-UHFFFAOYSA-N
XLogP5.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
CID 102167394
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
(2S,4R,5S)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
CID 69240394
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3-[(E)-2-phenylethenyl]aziridine
CID 15252099
(2E)-2-[(4-ethylphenyl)methylidene]-3-(4-methylphenyl)sulfonyl-1,4-diphenyl-4H-pyrimidine
CID 177383866
(3Z)-3-benzylidene-4-ethyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 135001201
(3Z)-3-benzylidene-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 177418020
(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine-2-carbaldehyde
CID 134884122
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 90152202

Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine?
The IUPAC name of 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine (CID 137346304) is 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine.
What is the SMILES notation for 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine?
The canonical SMILES for 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine is Cc1ccc(S(=O)(=O)N2C(=Cc3ccccc3)SC(c3ccccc3)C2C)cc1.
What is the InChIKey of 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine?
The InChIKey is PFWIQFYMXSCMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S2/c1-18-13-15-22(16-14-18)29(26,27)25-19(2)24(21-11-7-4-8-12-21)28-23(25)17-20-9-5-3-6-10-20/h3-17,19,24H,1-2H3.
What are the key properties of 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine?
2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine has a molecular weight of 421.59 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-thiazolidine is sourced from PubChem (CID 137346304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).