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

C24H25NO4S2 — CID 3266105

IUPAC3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO4S2/c1-2-28-21-11-13-23(14-12-21)31(26,27)25-15-16-30-24(25)20-9-6-10-22(17-20)29-18-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3
InChIKeyUECJUBXZUDRDKR-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.10
Rot. Bonds8

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

3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine (PubChem CID 3266105) has the molecular formula C24H25NO4S2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
PubChem CID3266105
Molecular FormulaC24H25NO4S2
Molecular Weight455.60 g/mol
Exact Mass455.12
IUPAC Name3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO4S2/c1-2-28-21-11-13-23(14-12-21)31(26,27)25-15-16-30-24(25)20-9-6-10-22(17-20)29-18-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3
InChIKeyUECJUBXZUDRDKR-UHFFFAOYSA-N
XLogP5.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4052836
3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4122599
(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 983220
N-[4-[[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1026068
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
CID 40548155
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1254845
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1038354

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine (CID 3266105) is 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine is CCOc1ccc(S(=O)(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The InChIKey is UECJUBXZUDRDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S2/c1-2-28-21-11-13-23(14-12-21)31(26,27)25-15-16-30-24(25)20-9-6-10-22(17-20)29-18-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine has a molecular weight of 455.60 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3266105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).