(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

C22H19NO5S — CID 1274289

IUPAC(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO5S/c1-27-18-13-9-17(10-14-18)23-21(24)15-29(25,26)22(23)16-7-11-20(12-8-16)28-19-5-3-2-4-6-19/h2-14,22H,15H2,1H3/t22-/m1/s1
InChIKeyYMXUZIQYFIFYAQ-JOCHJYFZSA-N
MW409.46 g/mol
LogP3.95
Rot. Bonds5

About (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one

(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274289) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1274289
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Name(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H19NO5S/c1-27-18-13-9-17(10-14-18)23-21(24)15-29(25,26)22(23)16-7-11-20(12-8-16)28-19-5-3-2-4-6-19/h2-14,22H,15H2,1H3/t22-/m1/s1
InChIKeyYMXUZIQYFIFYAQ-JOCHJYFZSA-N
XLogP3.95
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274296
2-(4-chlorophenyl)-1,1-dioxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 3875714
(2R)-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 824881
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 11836579
5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 4623143
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(4aR,7aS)-4-(4-methoxyphenyl)-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 22690171
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(4aS,7aR)-6,6-dioxo-1-(4-phenoxyphenyl)-2,4,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 11913848

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (CID 1274289) is (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YMXUZIQYFIFYAQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-27-18-13-9-17(10-14-18)23-21(24)15-29(25,26)22(23)16-7-11-20(12-8-16)28-19-5-3-2-4-6-19/h2-14,22H,15H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 409.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).