2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

C139H141F3N18O18S2 — CID 160752669

About 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 160752669) has the molecular formula C139H141F3N18O18S2 and a molecular weight of 2472.89 g/mol. Its IUPAC name is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
• PubChem CID: 160752669
• Molecular Formula: C139H141F3N18O18S2
• Molecular Weight: 2472.89 g/mol
• Exact Mass: 2471.01
• IUPAC Name: 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
• SMILES: CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC)cc3)n(C3CCC3)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)OC)cc21
• InChI: InChI=1S/2C25H27N3O3.C24H25N3O3.C23H23N3O3.C21H18F3N3O2S.C21H21N3O4S/c1-4-30-20-12-13-21-22(15-26)24(28(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)27-25(29)31-16(2)3;1-3-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-13-12-20(30-4-2)15-23(21)28(24)19-6-5-7-19;1-3-29-19-12-13-20-21(15-25)23(27(22(20)14-19)18-6-5-7-18)16-8-10-17(11-9-16)26-24(28)30-4-2;1-3-29-18-11-12-19-20(14-24)22(26(21(19)13-18)17-5-4-6-17)15-7-9-16(10-8-15)25-23(27)28-2;1-2-26-19-12-15(21(22,23)24)6-9-17(19)18(13-25)20(26)14-4-7-16(8-5-14)27-10-3-11-30(27,28)29;1-4-24-19-12-15(21(25)28-3)8-11-17(19)18(13-22)20(24)14-6-9-16(10-7-14)23-29(26,27)5-2/h8-14,16,19H,4-7H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);8-14,18H,3-7H2,1-2H3,(H,26,28);7-13,17H,3-6H2,1-2H3,(H,25,27);4-9,12H,2-3,10-11H2,1H3;6-12,23H,4-5H2,1-3H3
• InChIKey: RXAKPIYYFXLAOC-UHFFFAOYSA-N
• XLogP: 32.38
• TPSA: 472.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.89
LogP ≤ 5	32.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

The IUPAC name of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate (CID 160752669) is 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC)cc3)n(C3CCC3)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(=O)OC)cc21.

What is the InChIKey of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

The InChIKey is RXAKPIYYFXLAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H27N3O3.C24H25N3O3.C23H23N3O3.C21H18F3N3O2S.C21H21N3O4S/c1-4-30-20-12-13-21-22(15-26)24(28(23(21)14-20)19-6-5-7-19)17-8-10-18(11-9-17)27-25(29)31-16(2)3;1-3-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-13-12-20(30-4-2)15-23(21)28(24)19-6-5-7-19;1-3-29-19-12-13-20-21(15-25)23(27(22(20)14-19)18-6-5-7-18)16-8-10-17(11-9-16)26-24(28)30-4-2;1-3-29-18-11-12-19-20(14-24)22(26(21(19)13-18)17-5-4-6-17)15-7-9-16(10-8-15)25-23(27)28-2;1-2-26-19-12-15(21(22,23)24)6-9-17(19)18(13-25)20(26)14-4-7-16(8-5-14)27-10-3-11-30(27,28)29;1-4-24-19-12-15(21(25)28-3)8-11-17(19)18(13-22)20(24)14-6-9-16(10-7-14)23-29(26,27)5-2/h8-14,16,19H,4-7H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);8-14,18H,3-7H2,1-2H3,(H,26,28);7-13,17H,3-6H2,1-2H3,(H,25,27);4-9,12H,2-3,10-11H2,1H3;6-12,23H,4-5H2,1-3H3.

What are the key properties of 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate?

2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2472.89 g/mol, XLogP of 32.38, 33 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 160752669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).