N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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

C160H149F12N23O18S6 — CID 159998204

IUPACN,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(CC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)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/C38H33N5O3.2C21H20F3N3O2S.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-42-34-20-28(45-3)15-17-30(34)32(22-39)37(42)25-9-7-24(8-10-25)19-36(44)41-27-13-11-26(12-14-27)38-33(23-40)31-18-16-29(46-4)21-35(31)43(38)6-2;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/h7-18,20-21H,5-6,19H2,1-4H3,(H,41,44);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
InChIKeyOHUXRKOYSRIKJR-UHFFFAOYSA-N
MW3102.47 g/mol
LogP34.35
Rot. Bonds42

About N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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

N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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 (PubChem CID 159998204) has the molecular formula C160H149F12N23O18S6 and a molecular weight of 3102.47 g/mol. Its IUPAC name is N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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.

Molecular Properties

Compound NameN,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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
PubChem CID159998204
Molecular FormulaC160H149F12N23O18S6
Molecular Weight3102.47 g/mol
Exact Mass3099.96
IUPAC NameN,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(CC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)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/C38H33N5O3.2C21H20F3N3O2S.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-42-34-20-28(45-3)15-17-30(34)32(22-39)37(42)25-9-7-24(8-10-25)19-36(44)41-27-13-11-26(12-14-27)38-33(23-40)31-18-16-29(46-4)21-35(31)43(38)6-2;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/h7-18,20-21H,5-6,19H2,1-4H3,(H,41,44);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
InChIKeyOHUXRKOYSRIKJR-UHFFFAOYSA-N
XLogP34.35
TPSA593.03 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003102.47
LogP ≤ 534.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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 with MolForge

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Related Compounds

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;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157121571
CID 157133551
CID 157133551
CID 157160921
CID 157160921
2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 157172112
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
CID 157180715
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157247576
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 157269929
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 157429215
N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 157618931
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157685862
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanesulfonamide;ethyl N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]carbamate;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
CID 157733347
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 157845134

Frequently Asked Questions

What is the IUPAC name of N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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?
The IUPAC name of N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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 (CID 159998204) is N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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.
What is the SMILES notation for N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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?
The canonical SMILES for N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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 is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(CC(=O)Nc3ccc(-c4c(C#N)c5ccc(OC)cc5n4CC)cc3)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 N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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?
The InChIKey is OHUXRKOYSRIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N5O3.2C21H20F3N3O2S.C21H21N3O3S.C20H18F3N3O2S.C20H21N3O4S.C19H16F3N3O2S/c1-5-42-34-20-28(45-3)15-17-30(34)32(22-39)37(42)25-9-7-24(8-10-25)19-36(44)41-27-13-11-26(12-14-27)38-33(23-40)31-18-16-29(46-4)21-35(31)43(38)6-2;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/h7-18,20-21H,5-6,19H2,1-4H3,(H,41,44);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 N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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?
N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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 has a molecular weight of 3102.47 g/mol, XLogP of 34.35, 42 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetamide;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 is sourced from PubChem (CID 159998204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).