2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

C105H101N7O18S4 — CID 157274175

IUPAC2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
SMILESCc1ccc(CN2C(=O)/C(=C3\SC(=O)N(CC(=O)O)C3=O)c3cc(-c4ccccc4)ccc32)cc1.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCC3CCCCC3)c3ccc(-c4ccccc4)cc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCCC3CCCCC3)c3ccc(-c4ccccc4)cc32)C1=O.O=C1CC(=O)/C(=C2/C(=O)N(CCCC3CCCCC3)c3ccccc32)S1
InChIInChI=1S/C29H30N2O5S.C28H28N2O5S.C27H20N2O5S.C21H23NO3S/c32-24(33)18-31-28(35)26(37-29(31)36)25-22-17-21(20-12-5-2-6-13-20)14-15-23(22)30(27(25)34)16-8-7-11-19-9-3-1-4-10-19;31-23(32)17-30-27(34)25(36-28(30)35)24-21-16-20(19-11-5-2-6-12-19)13-14-22(21)29(26(24)33)15-7-10-18-8-3-1-4-9-18;1-16-7-9-17(10-8-16)14-28-21-12-11-19(18-5-3-2-4-6-18)13-20(21)23(25(28)32)24-26(33)29(15-22(30)31)27(34)35-24;23-17-13-18(24)26-20(17)19-15-10-4-5-11-16(15)22(21(19)25)12-6-9-14-7-2-1-3-8-14/h2,5-6,12-15,17,19H,1,3-4,7-11,16,18H2,(H,32,33);2,5-6,11-14,16,18H,1,3-4,7-10,15,17H2,(H,31,32);2-13H,14-15H2,1H3,(H,30,31);4-5,10-11,14H,1-3,6-9,12-13H2/b26-25-;25-24-;24-23-;20-19-
InChIKeyAYWXFPJTCYCQAR-MCGRHOTJSA-N
MW1877.26 g/mol
LogP20.53
Rot. Bonds24

About 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid (PubChem CID 157274175) has the molecular formula C105H101N7O18S4 and a molecular weight of 1877.26 g/mol. Its IUPAC name is 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
PubChem CID157274175
Molecular FormulaC105H101N7O18S4
Molecular Weight1877.26 g/mol
Exact Mass1875.61
IUPAC Name2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
SMILESCc1ccc(CN2C(=O)/C(=C3\SC(=O)N(CC(=O)O)C3=O)c3cc(-c4ccccc4)ccc32)cc1.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCC3CCCCC3)c3ccc(-c4ccccc4)cc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCCC3CCCCC3)c3ccc(-c4ccccc4)cc32)C1=O.O=C1CC(=O)/C(=C2/C(=O)N(CCCC3CCCCC3)c3ccccc32)S1
InChIInChI=1S/C29H30N2O5S.C28H28N2O5S.C27H20N2O5S.C21H23NO3S/c32-24(33)18-31-28(35)26(37-29(31)36)25-22-17-21(20-12-5-2-6-13-20)14-15-23(22)30(27(25)34)16-8-7-11-19-9-3-1-4-10-19;31-23(32)17-30-27(34)25(36-28(30)35)24-21-16-20(19-11-5-2-6-12-19)13-14-22(21)29(26(24)33)15-7-10-18-8-3-1-4-9-18;1-16-7-9-17(10-8-16)14-28-21-12-11-19(18-5-3-2-4-6-18)13-20(21)23(25(28)32)24-26(33)29(15-22(30)31)27(34)35-24;23-17-13-18(24)26-20(17)19-15-10-4-5-11-16(15)22(21(19)25)12-6-9-14-7-2-1-3-8-14/h2,5-6,12-15,17,19H,1,3-4,7-11,16,18H2,(H,32,33);2,5-6,11-14,16,18H,1,3-4,7-10,15,17H2,(H,31,32);2-13H,14-15H2,1H3,(H,30,31);4-5,10-11,14H,1-3,6-9,12-13H2/b26-25-;25-24-;24-23-;20-19-
InChIKeyAYWXFPJTCYCQAR-MCGRHOTJSA-N
XLogP20.53
TPSA339.42 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.26
LogP ≤ 520.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid?
The IUPAC name of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid (CID 157274175) is 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid is Cc1ccc(CN2C(=O)/C(=C3\SC(=O)N(CC(=O)O)C3=O)c3cc(-c4ccccc4)ccc32)cc1.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCC3CCCCC3)c3ccc(-c4ccccc4)cc32)C1=O.O=C(O)CN1C(=O)S/C(=C2\C(=O)N(CCCCC3CCCCC3)c3ccc(-c4ccccc4)cc32)C1=O.O=C1CC(=O)/C(=C2/C(=O)N(CCCC3CCCCC3)c3ccccc32)S1.
What is the InChIKey of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid?
The InChIKey is AYWXFPJTCYCQAR-MCGRHOTJSA-N. The full InChI is InChI=1S/C29H30N2O5S.C28H28N2O5S.C27H20N2O5S.C21H23NO3S/c32-24(33)18-31-28(35)26(37-29(31)36)25-22-17-21(20-12-5-2-6-13-20)14-15-23(22)30(27(25)34)16-8-7-11-19-9-3-1-4-10-19;31-23(32)17-30-27(34)25(36-28(30)35)24-21-16-20(19-11-5-2-6-12-19)13-14-22(21)29(26(24)33)15-7-10-18-8-3-1-4-9-18;1-16-7-9-17(10-8-16)14-28-21-12-11-19(18-5-3-2-4-6-18)13-20(21)23(25(28)32)24-26(33)29(15-22(30)31)27(34)35-24;23-17-13-18(24)26-20(17)19-15-10-4-5-11-16(15)22(21(19)25)12-6-9-14-7-2-1-3-8-14/h2,5-6,12-15,17,19H,1,3-4,7-11,16,18H2,(H,32,33);2,5-6,11-14,16,18H,1,3-4,7-10,15,17H2,(H,31,32);2-13H,14-15H2,1H3,(H,30,31);4-5,10-11,14H,1-3,6-9,12-13H2/b26-25-;25-24-;24-23-;20-19-.
What are the key properties of 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid?
2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid has a molecular weight of 1877.26 g/mol, XLogP of 20.53, 24 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[1-(4-cyclohexylbutyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxoindol-3-ylidene]thiolane-2,4-dione;2-[(5Z)-5-[1-(3-cyclohexylpropyl)-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;2-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxo-5-phenylindol-3-ylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid is sourced from PubChem (CID 157274175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).