ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate

C27H28N2O5S — CID 6532788

About ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 6532788) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 6532788
• Molecular Formula: C27H28N2O5S
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.17
• IUPAC Name: ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C\c2ccccc2OCc2ccccc2)c(=O)n1CC(=O)N1CCCC1
• InChI: InChI=1S/C27H28N2O5S/c1-2-33-26(31)17-25-29(18-24(30)28-14-8-9-15-28)27(32)23(35-25)16-21-12-6-7-13-22(21)34-19-20-10-4-3-5-11-20/h3-7,10-13,16-17H,2,8-9,14-15,18-19H2,1H3/b23-16-,25-17-
• InChIKey: SLGPGBLDPURHET-BYHDGAQCSA-N
• XLogP: 2.28
• TPSA: 77.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate (CID 6532788) is ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccccc2OCc2ccccc2)c(=O)n1CC(=O)N1CCCC1.

What is the InChIKey of ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is SLGPGBLDPURHET-BYHDGAQCSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-2-33-26(31)17-25-29(18-24(30)28-14-8-9-15-28)27(32)23(35-25)16-21-12-6-7-13-22(21)34-19-20-10-4-3-5-11-20/h3-7,10-13,16-17H,2,8-9,14-15,18-19H2,1H3/b23-16-,25-17-.

What are the key properties of ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 492.60 g/mol, XLogP of 2.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 6532788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).