3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

C22H27NO5S2 — CID 122330885

IUPAC3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC
InChIInChI=1S/C22H27NO5S2/c1-26-19-14-21(28-3)20(27-2)13-18(19)22-23(10-11-29-22)30(24,25)17-9-8-15-6-4-5-7-16(15)12-17/h8-9,12-14,22H,4-7,10-11H2,1-3H3
InChIKeyUSEXMVGGHJHLHD-UHFFFAOYSA-N
MW449.59 g/mol
LogP4.03
Rot. Bonds6

About 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330885) has the molecular formula C22H27NO5S2 and a molecular weight of 449.59 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330885
Molecular FormulaC22H27NO5S2
Molecular Weight449.59 g/mol
Exact Mass449.13
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC
InChIInChI=1S/C22H27NO5S2/c1-26-19-14-21(28-3)20(27-2)13-18(19)22-23(10-11-29-22)30(24,25)17-9-8-15-6-4-5-7-16(15)12-17/h8-9,12-14,22H,4-7,10-11H2,1-3H3
InChIKeyUSEXMVGGHJHLHD-UHFFFAOYSA-N
XLogP4.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine with MolForge

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Related Compounds

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
6-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 122330916
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122330940
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122330921
3-(4-fluoro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330920
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
3-(5-chloro-2-methylphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330878
2-(2-methoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 3383864
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 122330885) is 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cc1OC.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is USEXMVGGHJHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5S2/c1-26-19-14-21(28-3)20(27-2)13-18(19)22-23(10-11-29-22)30(24,25)17-9-8-15-6-4-5-7-16(15)12-17/h8-9,12-14,22H,4-7,10-11H2,1-3H3.
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 449.59 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).