2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate

C250H226F32N36O34S5 — CID 158734555

IUPAC2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(N)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCCF)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C22H22F3N3O3S.C22H20F3N3O3.C22H22FN3O3.C21H17F4N3O3.C21H18F3N3O3S.2C21H20F3N3O3S.C21H18F3N3O3.C21H19F2N3O3.C20H18F3N3O3S.C20H16F3N3O3.C18H16FN3O/c1-3-5-12-32(29,30)27-16-8-6-15(7-9-16)21-19(14-26)18-11-10-17(31-22(23,24)25)13-20(18)28(21)4-2;1-3-11-30-21(29)27-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)28(20)4-2;1-5-26-20-11-15(28-4)7-8-16(20)17(12-24)21(26)14-6-9-19(18(23)10-14)25-22(27)29-13(2)3;1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22;1-2-27-19-11-15(30-21(22,23)24)7-10-17(19)18(12-25)20(27)13-3-5-14(6-4-13)26-31(28,29)16-8-9-16;1-4-27-19-11-16(30-21(22,23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-31(28,29)13(2)3;1-3-11-31(28,29)26-15-7-5-14(6-8-15)20-18(13-25)17-10-9-16(30-21(22,23)24)12-19(17)27(20)4-2;1-3-27-18-11-15(30-21(22,23)24)9-10-16(18)17(12-25)19(27)13-5-7-14(8-6-13)26-20(28)29-4-2;1-3-26-19-11-14(28-2)5-6-15(19)16(12-24)20(26)13-4-7-18(17(23)10-13)25-21(27)29-9-8-22;1-3-26-18-11-15(29-20(21,22)23)9-10-16(18)17(12-24)19(26)13-5-7-14(8-6-13)25-30(27,28)4-2;1-3-26-17-10-14(29-20(21,22)23)8-9-15(17)16(11-24)18(26)12-4-6-13(7-5-12)25-19(27)28-2;1-3-22-17-9-12(23-2)5-6-13(17)14(10-20)18(22)11-4-7-16(21)15(19)8-11/h6-11,13,27H,3-5,12H2,1-2H3;5-10,12H,3-4,11H2,1-2H3,(H,27,29);6-11,13H,5H2,1-4H3,(H,25,27);3-8,11H,2,9-10H2,1H3,(H,27,29);3-7,10-11,16,26H,2,8-9H2,1H3;5-11,13,26H,4H2,1-3H3;5-10,12,26H,3-4,11H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28);4-7,10-11H,3,8-9H2,1-2H3,(H,25,27);5-11,25H,3-4H2,1-2H3;4-10H,3H2,1-2H3,(H,25,27);4-9H,3,21H2,1-2H3
InChIKeyILNBJYVWHWUPDE-UHFFFAOYSA-N
MW5047.05 g/mol
LogP62.72
Rot. Bonds68

About 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate

2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 158734555) has the molecular formula C250H226F32N36O34S5 and a molecular weight of 5047.05 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
PubChem CID158734555
Molecular FormulaC250H226F32N36O34S5
Molecular Weight5047.05 g/mol
Exact Mass5043.52
IUPAC Name2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate
SMILESCCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(N)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCCF)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C22H22F3N3O3S.C22H20F3N3O3.C22H22FN3O3.C21H17F4N3O3.C21H18F3N3O3S.2C21H20F3N3O3S.C21H18F3N3O3.C21H19F2N3O3.C20H18F3N3O3S.C20H16F3N3O3.C18H16FN3O/c1-3-5-12-32(29,30)27-16-8-6-15(7-9-16)21-19(14-26)18-11-10-17(31-22(23,24)25)13-20(18)28(21)4-2;1-3-11-30-21(29)27-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)28(20)4-2;1-5-26-20-11-15(28-4)7-8-16(20)17(12-24)21(26)14-6-9-19(18(23)10-14)25-22(27)29-13(2)3;1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22;1-2-27-19-11-15(30-21(22,23)24)7-10-17(19)18(12-25)20(27)13-3-5-14(6-4-13)26-31(28,29)16-8-9-16;1-4-27-19-11-16(30-21(22,23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-31(28,29)13(2)3;1-3-11-31(28,29)26-15-7-5-14(6-8-15)20-18(13-25)17-10-9-16(30-21(22,23)24)12-19(17)27(20)4-2;1-3-27-18-11-15(30-21(22,23)24)9-10-16(18)17(12-25)19(27)13-5-7-14(8-6-13)26-20(28)29-4-2;1-3-26-19-11-14(28-2)5-6-15(19)16(12-24)20(26)13-4-7-18(17(23)10-13)25-21(27)29-9-8-22;1-3-26-18-11-15(29-20(21,22)23)9-10-16(18)17(12-24)19(26)13-5-7-14(8-6-13)25-30(27,28)4-2;1-3-26-17-10-14(29-20(21,22)23)8-9-15(17)16(11-24)18(26)12-4-6-13(7-5-12)25-19(27)28-2;1-3-22-17-9-12(23-2)5-6-13(17)14(10-20)18(22)11-4-7-16(21)15(19)8-11/h6-11,13,27H,3-5,12H2,1-2H3;5-10,12H,3-4,11H2,1-2H3,(H,27,29);6-11,13H,5H2,1-4H3,(H,25,27);3-8,11H,2,9-10H2,1H3,(H,27,29);3-7,10-11,16,26H,2,8-9H2,1H3;5-11,13,26H,4H2,1-3H3;5-10,12,26H,3-4,11H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28);4-7,10-11H,3,8-9H2,1-2H3,(H,25,27);5-11,25H,3-4H2,1-2H3;4-10H,3H2,1-2H3,(H,25,27);4-9H,3,21H2,1-2H3
InChIKeyILNBJYVWHWUPDE-UHFFFAOYSA-N
XLogP62.72
TPSA942.25 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds68
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005047.05
LogP ≤ 562.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Analyze 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate (CID 158734555) is 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate is CCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(N)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)OCCF)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is ILNBJYVWHWUPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O3S.C22H20F3N3O3.C22H22FN3O3.C21H17F4N3O3.C21H18F3N3O3S.2C21H20F3N3O3S.C21H18F3N3O3.C21H19F2N3O3.C20H18F3N3O3S.C20H16F3N3O3.C18H16FN3O/c1-3-5-12-32(29,30)27-16-8-6-15(7-9-16)21-19(14-26)18-11-10-17(31-22(23,24)25)13-20(18)28(21)4-2;1-3-11-30-21(29)27-15-7-5-14(6-8-15)20-18(13-26)17-10-9-16(31-22(23,24)25)12-19(17)28(20)4-2;1-5-26-20-11-15(28-4)7-8-16(20)17(12-24)21(26)14-6-9-19(18(23)10-14)25-22(27)29-13(2)3;1-2-28-18-11-15(31-21(23,24)25)7-8-16(18)17(12-26)19(28)13-3-5-14(6-4-13)27-20(29)30-10-9-22;1-2-27-19-11-15(30-21(22,23)24)7-10-17(19)18(12-25)20(27)13-3-5-14(6-4-13)26-31(28,29)16-8-9-16;1-4-27-19-11-16(30-21(22,23)24)9-10-17(19)18(12-25)20(27)14-5-7-15(8-6-14)26-31(28,29)13(2)3;1-3-11-31(28,29)26-15-7-5-14(6-8-15)20-18(13-25)17-10-9-16(30-21(22,23)24)12-19(17)27(20)4-2;1-3-27-18-11-15(30-21(22,23)24)9-10-16(18)17(12-25)19(27)13-5-7-14(8-6-13)26-20(28)29-4-2;1-3-26-19-11-14(28-2)5-6-15(19)16(12-24)20(26)13-4-7-18(17(23)10-13)25-21(27)29-9-8-22;1-3-26-18-11-15(29-20(21,22)23)9-10-16(18)17(12-24)19(26)13-5-7-14(8-6-13)25-30(27,28)4-2;1-3-26-17-10-14(29-20(21,22)23)8-9-15(17)16(11-24)18(26)12-4-6-13(7-5-12)25-19(27)28-2;1-3-22-17-9-12(23-2)5-6-13(17)14(10-20)18(22)11-4-7-16(21)15(19)8-11/h6-11,13,27H,3-5,12H2,1-2H3;5-10,12H,3-4,11H2,1-2H3,(H,27,29);6-11,13H,5H2,1-4H3,(H,25,27);3-8,11H,2,9-10H2,1H3,(H,27,29);3-7,10-11,16,26H,2,8-9H2,1H3;5-11,13,26H,4H2,1-3H3;5-10,12,26H,3-4,11H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28);4-7,10-11H,3,8-9H2,1-2H3,(H,25,27);5-11,25H,3-4H2,1-2H3;4-10H,3H2,1-2H3,(H,25,27);4-9H,3,21H2,1-2H3.
What are the key properties of 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate?
2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 5047.05 g/mol, XLogP of 62.72, 68 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]butane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;methyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158734555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).