ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate

C24H28N2O4S — CID 93125069

About ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate

ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate (PubChem CID 93125069) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate.

Molecular Properties

• Compound Name: ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate
• PubChem CID: 93125069
• Molecular Formula: C24H28N2O4S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.18
• IUPAC Name: ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate
• SMILES: CCOC(=O)CCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1
• InChI: InChI=1S/C24H28N2O4S/c1-4-30-23(29)13-12-21(27)25-19-7-5-6-18(14-19)24-26(22(28)15-31-24)20-10-8-17(9-11-20)16(2)3/h5-11,14,16,24H,4,12-13,15H2,1-3H3,(H,25,27)/t24-/m1/s1
• InChIKey: WFLYFASVBDQOFZ-XMMPIXPASA-N
• XLogP: 4.87
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate?

The IUPAC name of ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate (CID 93125069) is ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate.

What is the SMILES notation for ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate?

The canonical SMILES for ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate is CCOC(=O)CCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1.

What is the InChIKey of ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate?

The InChIKey is WFLYFASVBDQOFZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-4-30-23(29)13-12-21(27)25-19-7-5-6-18(14-19)24-26(22(28)15-31-24)20-10-8-17(9-11-20)16(2)3/h5-11,14,16,24H,4,12-13,15H2,1-3H3,(H,25,27)/t24-/m1/s1.

What are the key properties of ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate?

ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate has a molecular weight of 440.57 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-oxo-4-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]anilino]butanoate is sourced from PubChem (CID 93125069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).