1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C274H263F12N39O33S6 — CID 159035116

IUPAC1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESC#CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C#CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C=CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCCO)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C37H32N6O3.C24H27N3O3.C23H25N3O3.C23H23N3O3.C23H21N3O3.C22H19N3O3.2C21H20F3N3O2S.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-42-33-19-27(45-3)15-17-29(33)31(21-38)35(42)23-7-11-25(12-8-23)40-37(44)41-26-13-9-24(10-14-26)36-32(22-39)30-18-16-28(46-4)20-34(30)43(36)6-2;1-6-27-21-13-18(29-5)11-12-19(21)20(14-25)22(27)16-7-9-17(10-8-16)26-23(28)30-15-24(2,3)4;2*1-5-15(3)29-23(27)25-17-9-7-16(8-10-17)22-20(14-24)19-12-11-18(28-4)13-21(19)26(22)6-2;1-4-6-13-29-23(27)25-17-9-7-16(8-10-17)22-20(15-24)19-12-11-18(28-3)14-21(19)26(22)5-2;1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2;1-4-27-19-11-15(21(22,23)24)7-10-17(19)18(12-25)20(27)14-5-8-16(9-6-14)26-30(28,29)13(2)3;1-3-11-30(28,29)26-16-8-5-14(6-9-16)20-18(13-25)17-10-7-15(21(22,23)24)12-19(17)27(20)4-2;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-9-17(10-5-14)28(25,26)23-15-6-7-15;1-3-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25-29(27,28)4-2;1-3-23-19-12-15(27-2)6-9-17(19)18(13-21)20(23)14-4-7-16(8-5-14)28(25,26)22-10-11-24;1-3-25-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(25)12-4-7-14(8-5-12)24-28(2,26)27/h7-20H,5-6H2,1-4H3,(H2,40,41,44);7-13H,6,15H2,1-5H3,(H,26,28);7-13,15H,5-6H2,1-4H3,(H,25,27);5,7-13,15H,1,6H2,2-4H3,(H,25,27);1,7-12,14H,5-6,13H2,2-3H3,(H,25,27);1,6-11,13H,5,12H2,2-3H3,(H,24,26);5-11,13,26H,4H2,1-3H3;5-10,12,26H,3-4,11H2,1-2H3;4-5,8-12,15,23H,3,6-7H2,1-2H3;5-11,25H,3-4H2,1-2H3;4-9,12,22,24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3
InChIKeyJVJCOMLYHMOOJL-UHFFFAOYSA-N
MW5050.74 g/mol
LogP60.67
Rot. Bonds69

About 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 159035116) has the molecular formula C274H263F12N39O33S6 and a molecular weight of 5050.74 g/mol. Its IUPAC name is 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID159035116
Molecular FormulaC274H263F12N39O33S6
Molecular Weight5050.74 g/mol
Exact Mass5046.82
IUPAC Name1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESC#CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C#CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C=CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCCO)cc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C37H32N6O3.C24H27N3O3.C23H25N3O3.C23H23N3O3.C23H21N3O3.C22H19N3O3.2C21H20F3N3O2S.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-42-33-19-27(45-3)15-17-29(33)31(21-38)35(42)23-7-11-25(12-8-23)40-37(44)41-26-13-9-24(10-14-26)36-32(22-39)30-18-16-28(46-4)20-34(30)43(36)6-2;1-6-27-21-13-18(29-5)11-12-19(21)20(14-25)22(27)16-7-9-17(10-8-16)26-23(28)30-15-24(2,3)4;2*1-5-15(3)29-23(27)25-17-9-7-16(8-10-17)22-20(14-24)19-12-11-18(28-4)13-21(19)26(22)6-2;1-4-6-13-29-23(27)25-17-9-7-16(8-10-17)22-20(15-24)19-12-11-18(28-3)14-21(19)26(22)5-2;1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2;1-4-27-19-11-15(21(22,23)24)7-10-17(19)18(12-25)20(27)14-5-8-16(9-6-14)26-30(28,29)13(2)3;1-3-11-30(28,29)26-16-8-5-14(6-9-16)20-18(13-25)17-10-7-15(21(22,23)24)12-19(17)27(20)4-2;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-9-17(10-5-14)28(25,26)23-15-6-7-15;1-3-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25-29(27,28)4-2;1-3-23-19-12-15(27-2)6-9-17(19)18(13-21)20(23)14-4-7-16(8-5-14)28(25,26)22-10-11-24;1-3-25-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(25)12-4-7-14(8-5-12)24-28(2,26)27/h7-20H,5-6H2,1-4H3,(H2,40,41,44);7-13H,6,15H2,1-5H3,(H,26,28);7-13,15H,5-6H2,1-4H3,(H,25,27);5,7-13,15H,1,6H2,2-4H3,(H,25,27);1,7-12,14H,5-6,13H2,2-3H3,(H,25,27);1,6-11,13H,5,12H2,2-3H3,(H,24,26);5-11,13,26H,4H2,1-3H3;5-10,12,26H,3-4,11H2,1-2H3;4-5,8-12,15,23H,3,6-7H2,1-2H3;5-11,25H,3-4H2,1-2H3;4-9,12,22,24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3
InChIKeyJVJCOMLYHMOOJL-UHFFFAOYSA-N
XLogP60.67
TPSA986.46 Ų
H-Bond Donors14
H-Bond Acceptors59
Rotatable Bonds69
Heavy Atoms364
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005050.74
LogP ≤ 560.67
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1059

Analyze 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 159035116) is 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is C#CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C#CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.C=CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(NC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OCC(C)(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCCO)cc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is JVJCOMLYHMOOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N6O3.C24H27N3O3.C23H25N3O3.C23H23N3O3.C23H21N3O3.C22H19N3O3.2C21H20F3N3O2S.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-42-33-19-27(45-3)15-17-29(33)31(21-38)35(42)23-7-11-25(12-8-23)40-37(44)41-26-13-9-24(10-14-26)36-32(22-39)30-18-16-28(46-4)20-34(30)43(36)6-2;1-6-27-21-13-18(29-5)11-12-19(21)20(14-25)22(27)16-7-9-17(10-8-16)26-23(28)30-15-24(2,3)4;2*1-5-15(3)29-23(27)25-17-9-7-16(8-10-17)22-20(14-24)19-12-11-18(28-4)13-21(19)26(22)6-2;1-4-6-13-29-23(27)25-17-9-7-16(8-10-17)22-20(15-24)19-12-11-18(28-3)14-21(19)26(22)5-2;1-4-12-28-22(26)24-16-8-6-15(7-9-16)21-19(14-23)18-11-10-17(27-3)13-20(18)25(21)5-2;1-4-27-19-11-15(21(22,23)24)7-10-17(19)18(12-25)20(27)14-5-8-16(9-6-14)26-30(28,29)13(2)3;1-3-11-30(28,29)26-16-8-5-14(6-9-16)20-18(13-25)17-10-7-15(21(22,23)24)12-19(17)27(20)4-2;1-3-24-20-12-16(27-2)8-11-18(20)19(13-22)21(24)14-4-9-17(10-5-14)28(25,26)23-15-6-7-15;1-3-26-18-11-14(20(21,22)23)7-10-16(18)17(12-24)19(26)13-5-8-15(9-6-13)25-29(27,28)4-2;1-3-23-19-12-15(27-2)6-9-17(19)18(13-21)20(23)14-4-7-16(8-5-14)28(25,26)22-10-11-24;1-3-25-17-10-13(19(20,21)22)6-9-15(17)16(11-23)18(25)12-4-7-14(8-5-12)24-28(2,26)27/h7-20H,5-6H2,1-4H3,(H2,40,41,44);7-13H,6,15H2,1-5H3,(H,26,28);7-13,15H,5-6H2,1-4H3,(H,25,27);5,7-13,15H,1,6H2,2-4H3,(H,25,27);1,7-12,14H,5-6,13H2,2-3H3,(H,25,27);1,6-11,13H,5,12H2,2-3H3,(H,24,26);5-11,13,26H,4H2,1-3H3;5-10,12,26H,3-4,11H2,1-2H3;4-5,8-12,15,23H,3,6-7H2,1-2H3;5-11,25H,3-4H2,1-2H3;4-9,12,22,24H,3,10-11H2,1-2H3;4-10,24H,3H2,1-2H3.
What are the key properties of 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 5050.74 g/mol, XLogP of 60.67, 69 rotatable bonds, 14 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;butan-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-en-2-yl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;but-3-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-2-sulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;prop-2-ynyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159035116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).