N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide

C137H139F2N21O17S5 — CID 157124003

About N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide

N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide (PubChem CID 157124003) has the molecular formula C137H139F2N21O17S5 and a molecular weight of 2550.08 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide
• PubChem CID: 157124003
• Molecular Formula: C137H139F2N21O17S5
• Molecular Weight: 2550.08 g/mol
• Exact Mass: 2547.92
• IUPAC Name: N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide
• SMILES: CCCNC(=O)N1CCc2cc(-c3c(C#N)c4ccc(OC)cc4n3CC)ccc21.CCOc1ccc2c(C#N)c(-c3ccc(N(C)S(=O)(=O)CC)cc3)n(C)c2c1.CCS(=O)(=O)N(C)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(CN(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccn3)cc21
• InChI: InChI=1S/C26H24N4O3S.C25H24N4O3S.C24H26N4O2.2C21H23N3O3S.C20H19F2N3O3S/c1-2-30-25-14-21(33-17-18-4-3-13-28-16-18)9-12-23(25)24(15-27)26(30)19-5-7-20(8-6-19)29-34(31,32)22-10-11-22;1-3-29-24-15-21(32-17-20-7-5-6-14-27-20)12-13-22(24)23(16-26)25(29)18-8-10-19(11-9-18)28-33(30,31)4-2;1-4-11-26-24(29)28-12-10-16-13-17(6-9-21(16)28)23-20(15-25)19-8-7-18(30-3)14-22(19)27(23)5-2;1-5-24-20-12-17(27-3)10-11-18(20)19(13-22)21(24)16-8-6-15(7-9-16)14-23(2)28(4,25)26;1-5-27-17-11-12-18-19(14-22)21(23(3)20(18)13-17)15-7-9-16(10-8-15)24(4)28(25,26)6-2;1-4-29(26,27)25(3)14-7-5-13(6-8-14)19-17(12-23)16-10-9-15(28-20(21)22)11-18(16)24(19)2/h3-9,12-14,16,22,29H,2,10-11,17H2,1H3;5-15,28H,3-4,17H2,1-2H3;6-9,13-14H,4-5,10-12H2,1-3H3,(H,26,29);6-12H,5,14H2,1-4H3;7-13H,5-6H2,1-4H3;5-11,20H,4H2,1-3H3
• InChIKey: AIHPHSBXJKBENZ-UHFFFAOYSA-N
• XLogP: 26.31
• TPSA: 490.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 39
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2550.08
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide?

The IUPAC name of N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide (CID 157124003) is N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide.

What is the SMILES notation for N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide?

The canonical SMILES for N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide is CCCNC(=O)N1CCc2cc(-c3c(C#N)c4ccc(OC)cc4n3CC)ccc21.CCOc1ccc2c(C#N)c(-c3ccc(N(C)S(=O)(=O)CC)cc3)n(C)c2c1.CCS(=O)(=O)N(C)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C)cc1.CCn1c(-c2ccc(CN(C)S(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCc3cccnc3)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccn3)cc21.

What is the InChIKey of N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide?

The InChIKey is AIHPHSBXJKBENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S.C25H24N4O3S.C24H26N4O2.2C21H23N3O3S.C20H19F2N3O3S/c1-2-30-25-14-21(33-17-18-4-3-13-28-16-18)9-12-23(25)24(15-27)26(30)19-5-7-20(8-6-19)29-34(31,32)22-10-11-22;1-3-29-24-15-21(32-17-20-7-5-6-14-27-20)12-13-22(24)23(16-26)25(29)18-8-10-19(11-9-18)28-33(30,31)4-2;1-4-11-26-24(29)28-12-10-16-13-17(6-9-21(16)28)23-20(15-25)19-8-7-18(30-3)14-22(19)27(23)5-2;1-5-24-20-12-17(27-3)10-11-18(20)19(13-22)21(24)16-8-6-15(7-9-16)14-23(2)28(4,25)26;1-5-27-17-11-12-18-19(14-22)21(23(3)20(18)13-17)15-7-9-16(10-8-15)24(4)28(25,26)6-2;1-4-29(26,27)25(3)14-7-5-13(6-8-14)19-17(12-23)16-10-9-15(28-20(21)22)11-18(16)24(19)2/h3-9,12-14,16,22,29H,2,10-11,17H2,1H3;5-15,28H,3-4,17H2,1-2H3;6-9,13-14H,4-5,10-12H2,1-3H3,(H,26,29);6-12H,5,14H2,1-4H3;7-13H,5-6H2,1-4H3;5-11,20H,4H2,1-3H3.

What are the key properties of N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide?

N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide has a molecular weight of 2550.08 g/mol, XLogP of 26.31, 39 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]-N-methylethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]-N-methylethanesulfonamide;N-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]methyl]-N-methylmethanesulfonamide;5-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propyl-2,3-dihydroindole-1-carboxamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-3-ylmethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(pyridin-2-ylmethoxy)indol-2-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 157124003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).