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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile

C125H121BrF7N17O17S4 — CID 159237837

About 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile (PubChem CID 159237837) has the molecular formula C125H121BrF7N17O17S4 and a molecular weight of 2474.60 g/mol. Its IUPAC name is 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile.

Molecular Properties

• Compound Name: 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile
• PubChem CID: 159237837
• Molecular Formula: C125H121BrF7N17O17S4
• Molecular Weight: 2474.60 g/mol
• Exact Mass: 2471.71
• IUPAC Name: 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile
• SMILES: CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCOc1ccc(-c2c(C#N)c3ccc(Br)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NC(=O)OC(C)(C)C)cc3n2CC)cc1.CCn1c(-c2ccc(N(CCO)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.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.C22H21F2N3O3S.C21H23N3O4S.C20H19F2N3O3S.C19H17BrN2O.C19H14F3N3O3S/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;1-2-11-27-20-12-16(30-22(23)24)7-10-18(20)19(13-25)21(27)14-3-5-15(6-4-14)26-31(28,29)17-8-9-17;1-4-23-20-13-17(28-2)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)24(11-12-25)29(3,26)27;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;1-3-22-18-11-14(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/h8-14H,6-7H2,1-5H3,(H,26,28);3-7,10,12,17,22,26H,2,8-9,11H2,1H3;5-10,13,25H,4,11-12H2,1-3H3;5-11,20,24H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3;2-7,10,24H,1,8-9H2
• InChIKey: KTSAKHPENXHHSR-UHFFFAOYSA-N
• XLogP: 28.08
• TPSA: 464.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2474.60
LogP ≤ 5	28.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile?

The IUPAC name of 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile (CID 159237837) is 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)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-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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile?

The canonical SMILES for 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile is CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)F)cc21.CCOc1ccc(-c2c(C#N)c3ccc(Br)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NC(=O)OC(C)(C)C)cc3n2CC)cc1.CCn1c(-c2ccc(N(CCO)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.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-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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile?

The InChIKey is KTSAKHPENXHHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.C22H21F2N3O3S.C21H23N3O4S.C20H19F2N3O3S.C19H17BrN2O.C19H14F3N3O3S/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;1-2-11-27-20-12-16(30-22(23)24)7-10-18(20)19(13-25)21(27)14-3-5-15(6-4-14)26-31(28,29)17-8-9-17;1-4-23-20-13-17(28-2)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)24(11-12-25)29(3,26)27;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;1-3-22-18-11-14(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/h8-14H,6-7H2,1-5H3,(H,26,28);3-7,10,12,17,22,26H,2,8-9,11H2,1H3;5-10,13,25H,4,11-12H2,1-3H3;5-11,20,24H,3-4H2,1-2H3;5-11H,3-4H2,1-2H3;2-7,10,24H,1,8-9H2.

What are the key properties of 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile has a molecular weight of 2474.60 g/mol, XLogP of 28.08, 34 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile is sourced from PubChem (CID 159237837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).