2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid

C109H112N10O25S5 — CID 159117320

About 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid

2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 159117320) has the molecular formula C109H112N10O25S5 and a molecular weight of 2122.47 g/mol. Its IUPAC name is 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid
• PubChem CID: 159117320
• Molecular Formula: C109H112N10O25S5
• Molecular Weight: 2122.47 g/mol
• Exact Mass: 2120.64
• IUPAC Name: 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid
• SMILES: O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCCC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCCc3ccccc3)c3ccccc32)C1=O
• InChI: InChI=1S/C23H26N2O5S.C23H20N2O5S.C22H24N2O5S.C21H22N2O5S.C20H20N2O5S/c2*26-18(27)14-25-22(29)20(31-23(25)30)19-16-11-4-5-12-17(16)24(21(19)28)13-7-6-10-15-8-2-1-3-9-15;25-17(26)13-24-21(28)19(30-22(24)29)18-15-10-4-5-11-16(15)23(20(18)27)12-6-9-14-7-2-1-3-8-14;24-16(25)12-23-20(27)18(29-21(23)28)17-14-8-4-5-9-15(14)22(19(17)26)11-10-13-6-2-1-3-7-13;23-15(24)11-22-19(26)17(28-20(22)27)16-13-8-4-5-9-14(13)21(18(16)25)10-12-6-2-1-3-7-12/h4-5,11-12,15H,1-3,6-10,13-14H2,(H,26,27);1-5,8-9,11-12H,6-7,10,13-14H2,(H,26,27);4-5,10-11,14H,1-3,6-9,12-13H2,(H,25,26);4-5,8-9,13H,1-3,6-7,10-12H2,(H,24,25);4-5,8-9,12H,1-3,6-7,10-11H2,(H,23,24)/b2*20-19-;19-18-;18-17-;17-16-
• InChIKey: KFGDMNTUPPCGLD-HLNGYXFISA-N
• XLogP: 18.31
• TPSA: 474.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2122.47
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid?

The IUPAC name of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid (CID 159117320) is 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid.

What is the SMILES notation for 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid?

The canonical SMILES for 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid is O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCCC3CCCCC3)c3ccccc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCCc3ccccc3)c3ccccc32)C1=O.

What is the InChIKey of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid?

The InChIKey is KFGDMNTUPPCGLD-HLNGYXFISA-N. The full InChI is InChI=1S/C23H26N2O5S.C23H20N2O5S.C22H24N2O5S.C21H22N2O5S.C20H20N2O5S/c2*26-18(27)14-25-22(29)20(31-23(25)30)19-16-11-4-5-12-17(16)24(21(19)28)13-7-6-10-15-8-2-1-3-9-15;25-17(26)13-24-21(28)19(30-22(24)29)18-15-10-4-5-11-16(15)23(20(18)27)12-6-9-14-7-2-1-3-8-14;24-16(25)12-23-20(27)18(29-21(23)28)17-14-8-4-5-9-15(14)22(19(17)26)11-10-13-6-2-1-3-7-13;23-15(24)11-22-19(26)17(28-20(22)27)16-13-8-4-5-9-14(13)21(18(16)25)10-12-6-2-1-3-7-12/h4-5,11-12,15H,1-3,6-10,13-14H2,(H,26,27);1-5,8-9,11-12H,6-7,10,13-14H2,(H,26,27);4-5,10-11,14H,1-3,6-9,12-13H2,(H,25,26);4-5,8-9,13H,1-3,6-7,10-12H2,(H,24,25);4-5,8-9,12H,1-3,6-7,10-11H2,(H,23,24)/b2*20-19-;19-18-;18-17-;17-16-.

What are the key properties of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid?

2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 2122.47 g/mol, XLogP of 18.31, 29 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(2-cyclohexylethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(cyclohexylmethyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-2,4-dioxo-5-[2-oxo-1-(4-phenylbutyl)indol-3-ylidene]-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 159117320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).