3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine

C26H29NO3S2 — CID 4052836

IUPAC3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H29NO3S2/c1-26(2,3)22-12-14-24(15-13-22)32(28,29)27-16-17-31-25(27)21-10-7-11-23(18-21)30-19-20-8-5-4-6-9-20/h4-15,18,25H,16-17,19H2,1-3H3
InChIKeyZVIZTPZYTZRAPS-UHFFFAOYSA-N
MW467.66 g/mol
LogP6.00
Rot. Bonds6

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

3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine (PubChem CID 4052836) has the molecular formula C26H29NO3S2 and a molecular weight of 467.66 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
PubChem CID4052836
Molecular FormulaC26H29NO3S2
Molecular Weight467.66 g/mol
Exact Mass467.16
IUPAC Name3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C26H29NO3S2/c1-26(2,3)22-12-14-24(15-13-22)32(28,29)27-16-17-31-25(27)21-10-7-11-23(18-21)30-19-20-8-5-4-6-9-20/h4-15,18,25H,16-17,19H2,1-3H3
InChIKeyZVIZTPZYTZRAPS-UHFFFAOYSA-N
XLogP6.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
3-(4-tert-butylphenyl)sulfonyl-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3632949
(2R)-3-(benzenesulfonyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 983220
3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4122599
N-[4-[[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1026068
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
(2R)-3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 716649
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
CID 3335512
cyclopropyl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7301681
(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
CID 40548155
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine (CID 4052836) is 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
The InChIKey is ZVIZTPZYTZRAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3S2/c1-26(2,3)22-12-14-24(15-13-22)32(28,29)27-16-17-31-25(27)21-10-7-11-23(18-21)30-19-20-8-5-4-6-9-20/h4-15,18,25H,16-17,19H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine?
3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine has a molecular weight of 467.66 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 4052836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).