6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile

C121H117BrF5N17O14S3 — CID 159695759

About 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile

6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile (PubChem CID 159695759) has the molecular formula C121H117BrF5N17O14S3 and a molecular weight of 2304.47 g/mol. Its IUPAC name is 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile
• PubChem CID: 159695759
• Molecular Formula: C121H117BrF5N17O14S3
• Molecular Weight: 2304.47 g/mol
• Exact Mass: 2301.72
• IUPAC Name: 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile
• SMILES: CCOc1ccc(-c2c(C#N)c3ccc(Br)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(N)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NC(=O)OC(C)(C)C)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(C)(=O)=O)cc3n2CC)cc1.CCn1c(-c2ccc(OC(F)F)cc2)c(C#N)c2ccc(NS(=O)(=O)CC)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)[nH]c2cc(OC(F)(F)F)ccc12
• InChI: InChI=1S/C24H27N3O3.C20H19F2N3O3S.C20H21N3O3S.C19H17BrN2O.C19H14F3N3O3S.C19H19N3O/c1-6-27-21-14-17(26-23(28)30-24(3,4)5)10-13-19(21)20(15-25)22(27)16-8-11-18(12-9-16)29-7-2;1-3-25-18-11-14(24-29(26,27)4-2)7-10-16(18)17(12-23)19(25)13-5-8-15(9-6-13)28-20(21)22;1-4-23-19-12-15(22-27(3,24)25)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)26-5-2;1-3-22-18-11-14(20)7-10-16(18)17(12-21)19(22)13-5-8-15(9-6-13)23-4-2;20-19(21,22)28-14-6-7-15-16(11-23)18(24-17(15)10-14)12-2-4-13(5-3-12)25-8-1-9-29(25,26)27;1-3-22-18-11-14(21)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)23-4-2/h8-14H,6-7H2,1-5H3,(H,26,28);5-11,20,24H,3-4H2,1-2H3;6-12,22H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;2-7,10,24H,1,8-9H2;5-11H,3-4,21H2,1-2H3
• InChIKey: MWZFAQZNSMXFKJ-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 432.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2304.47
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile?

The IUPAC name of 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile (CID 159695759) is 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile.

What is the SMILES notation for 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile?

The canonical SMILES for 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile is CCOc1ccc(-c2c(C#N)c3ccc(Br)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(N)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NC(=O)OC(C)(C)C)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(C)(=O)=O)cc3n2CC)cc1.CCn1c(-c2ccc(OC(F)F)cc2)c(C#N)c2ccc(NS(=O)(=O)CC)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)[nH]c2cc(OC(F)(F)F)ccc12.

What is the InChIKey of 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile?

The InChIKey is MWZFAQZNSMXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.C20H19F2N3O3S.C20H21N3O3S.C19H17BrN2O.C19H14F3N3O3S.C19H19N3O/c1-6-27-21-14-17(26-23(28)30-24(3,4)5)10-13-19(21)20(15-25)22(27)16-8-11-18(12-9-16)29-7-2;1-3-25-18-11-14(24-29(26,27)4-2)7-10-16(18)17(12-23)19(25)13-5-8-15(9-6-13)28-20(21)22;1-4-23-19-12-15(22-27(3,24)25)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)26-5-2;1-3-22-18-11-14(20)7-10-16(18)17(12-21)19(22)13-5-8-15(9-6-13)23-4-2;20-19(21,22)28-14-6-7-15-16(11-23)18(24-17(15)10-14)12-2-4-13(5-3-12)25-8-1-9-29(25,26)27;1-3-22-18-11-14(21)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)23-4-2/h8-14H,6-7H2,1-5H3,(H,26,28);5-11,20,24H,3-4H2,1-2H3;6-12,22H,4-5H2,1-3H3;5-11H,3-4H2,1-2H3;2-7,10,24H,1,8-9H2;5-11H,3-4,21H2,1-2H3.

What are the key properties of 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile?

6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile has a molecular weight of 2304.47 g/mol, XLogP of 28.17, 29 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile is sourced from PubChem (CID 159695759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).