3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine

C24H25NO3S2 — CID 4122599

IUPAC3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO3S2/c1-2-19-8-14-23(15-9-19)30(26,27)25-16-17-29-24(25)21-10-12-22(13-11-21)28-18-20-6-4-3-5-7-20/h3-15,24H,2,16-18H2,1H3
InChIKeyJMCGWFPFLLOWMC-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.26
Rot. Bonds7

About 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine

3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine (PubChem CID 4122599) has the molecular formula C24H25NO3S2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
PubChem CID4122599
Molecular FormulaC24H25NO3S2
Molecular Weight439.60 g/mol
Exact Mass439.13
IUPAC Name3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25NO3S2/c1-2-19-8-14-23(15-9-19)30(26,27)25-16-17-29-24(25)21-10-12-22(13-11-21)28-18-20-6-4-3-5-7-20/h3-15,24H,2,16-18H2,1H3
InChIKeyJMCGWFPFLLOWMC-UHFFFAOYSA-N
XLogP5.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 983220
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
N-[4-[[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1026068
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4052836
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3616314
(2S)-3-(4-ethylphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 7014423
3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3302390
3-(4-tert-butylphenyl)sulfonyl-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3632949
3-(4-butoxyphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3382694

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine (CID 4122599) is 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine is CCc1ccc(S(=O)(=O)N2CCSC2c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The InChIKey is JMCGWFPFLLOWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S2/c1-2-19-8-14-23(15-9-19)30(26,27)25-16-17-29-24(25)21-10-12-22(13-11-21)28-18-20-6-4-3-5-7-20/h3-15,24H,2,16-18H2,1H3.
What are the key properties of 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine has a molecular weight of 439.60 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 4122599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).