2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

C17H19NO3S2 — CID 2858670

IUPAC2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S2/c1-13-3-9-16(10-4-13)23(19,20)18-11-12-22-17(18)14-5-7-15(21-2)8-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyGCQDBYMCNWRYGI-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 2858670) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID2858670
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S2/c1-13-3-9-16(10-4-13)23(19,20)18-11-12-22-17(18)14-5-7-15(21-2)8-6-14/h3-10,17H,11-12H2,1-2H3
InChIKeyGCQDBYMCNWRYGI-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
CID 1373902
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
CID 3640975
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111374
N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084396
2-methyl-4-[4-[[2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-1,3-oxazole
CID 122330537
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1084382
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 2858670) is 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(C2SCCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is GCQDBYMCNWRYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-13-3-9-16(10-4-13)23(19,20)18-11-12-22-17(18)14-5-7-15(21-2)8-6-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 349.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 2858670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).