2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

C29H27NO4S — CID 142269362

IUPAC2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILESCCc1ccc(/C=c2\s/c(=C\c3ccccc3OCC(=O)O)c(=O)n2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C29H27NO4S/c1-3-20-9-11-22(12-10-20)17-27-30(24-15-13-21(4-2)14-16-24)29(33)26(35-27)18-23-7-5-6-8-25(23)34-19-28(31)32/h5-18H,3-4,19H2,1-2H3,(H,31,32)/b26-18-,27-17-
InChIKeyVMHWGFLJMATORS-SLGMYGOPSA-N
MW485.61 g/mol
LogP4.14
Rot. Bonds8

About 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid (PubChem CID 142269362) has the molecular formula C29H27NO4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
PubChem CID142269362
Molecular FormulaC29H27NO4S
Molecular Weight485.61 g/mol
Exact Mass485.17
IUPAC Name2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILESCCc1ccc(/C=c2\s/c(=C\c3ccccc3OCC(=O)O)c(=O)n2-c2ccc(CC)cc2)cc1
InChIInChI=1S/C29H27NO4S/c1-3-20-9-11-22(12-10-20)17-27-30(24-15-13-21(4-2)14-16-24)29(33)26(35-27)18-23-7-5-6-8-25(23)34-19-28(31)32/h5-18H,3-4,19H2,1-2H3,(H,31,32)/b26-18-,27-17-
InChIKeyVMHWGFLJMATORS-SLGMYGOPSA-N
XLogP4.14
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid (CID 142269362) is 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is CCc1ccc(/C=c2\s/c(=C\c3ccccc3OCC(=O)O)c(=O)n2-c2ccc(CC)cc2)cc1.
What is the InChIKey of 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
The InChIKey is VMHWGFLJMATORS-SLGMYGOPSA-N. The full InChI is InChI=1S/C29H27NO4S/c1-3-20-9-11-22(12-10-20)17-27-30(24-15-13-21(4-2)14-16-24)29(33)26(35-27)18-23-7-5-6-8-25(23)34-19-28(31)32/h5-18H,3-4,19H2,1-2H3,(H,31,32)/b26-18-,27-17-.
What are the key properties of 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid?
2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid has a molecular weight of 485.61 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[(2Z)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 142269362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).