3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

C22H29NO7S2 — CID 122330957

IUPAC3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)c(OCC)c1
InChIInChI=1S/C22H29NO7S2/c1-6-29-15-8-9-21(20(12-15)30-7-2)32(24,25)23-10-11-31-22(23)16-13-18(27-4)19(28-5)14-17(16)26-3/h8-9,12-14,22H,6-7,10-11H2,1-5H3
InChIKeyMMWXRXGGDKGMRV-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.95
Rot. Bonds10

About 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330957) has the molecular formula C22H29NO7S2 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330957
Molecular FormulaC22H29NO7S2
Molecular Weight483.61 g/mol
Exact Mass483.14
IUPAC Name3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)c(OCC)c1
InChIInChI=1S/C22H29NO7S2/c1-6-29-15-8-9-21(20(12-15)30-7-2)32(24,25)23-10-11-31-22(23)16-13-18(27-4)19(28-5)14-17(16)26-3/h8-9,12-14,22H,6-7,10-11H2,1-5H3
InChIKeyMMWXRXGGDKGMRV-UHFFFAOYSA-N
XLogP3.95
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122330225
3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 122330380
3-(4-fluoro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330920
3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330878
3-(4-iodophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 23800416
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1279279
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122330921
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122330940
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330917
3-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine
CID 122331910
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
CID 122330248
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330885

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 122330957) is 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is CCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is MMWXRXGGDKGMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO7S2/c1-6-29-15-8-9-21(20(12-15)30-7-2)32(24,25)23-10-11-31-22(23)16-13-18(27-4)19(28-5)14-17(16)26-3/h8-9,12-14,22H,6-7,10-11H2,1-5H3.
What are the key properties of 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 483.61 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).