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

C22H19NO5S — CID 1274296

IUPAC(2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO5S/c1-27-20-9-5-6-17(14-20)23-21(24)15-29(25,26)22(23)16-10-12-19(13-11-16)28-18-7-3-2-4-8-18/h2-14,22H,15H2,1H3/t22-/m0/s1
InChIKeyUOMRYPLDHNZVFE-QFIPXVFZSA-N
MW409.46 g/mol
LogP3.95
Rot. Bonds5

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

(2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1274296) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID1274296
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Name(2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H19NO5S/c1-27-20-9-5-6-17(14-20)23-21(24)15-29(25,26)22(23)16-10-12-19(13-11-16)28-18-7-3-2-4-8-18/h2-14,22H,15H2,1H3/t22-/m0/s1
InChIKeyUOMRYPLDHNZVFE-QFIPXVFZSA-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

(2R)-3-(4-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274289
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
(3aS,6aR)-3-(3-methoxyphenyl)-5,5-dioxo-1-phenyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 6560011
(4aR,7aS)-4-(3-methoxyphenyl)-6,6-dioxo-1,2,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-3-one
CID 22690170
(4aS,7aS)-1-benzyl-4-(3-methoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 42332956
(4aS,7aR)-1-benzyl-4-(3-methoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 42332948
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
(3aS,6aR)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-2-thione
CID 1281657
3-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842579
(4aS,7aR)-4-(3-methoxyphenyl)-6,6-dioxo-1-(2-phenylethyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one
CID 42333031

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one (CID 1274296) is (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is COc1cccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is UOMRYPLDHNZVFE-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19NO5S/c1-27-20-9-5-6-17(14-20)23-21(24)15-29(25,26)22(23)16-10-12-19(13-11-16)28-18-7-3-2-4-8-18/h2-14,22H,15H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one?
(2S)-3-(3-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 (2S)-3-(3-methoxyphenyl)-1,1-dioxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1274296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).