bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate

C221H224Cl2N36O26S3 — CID 159348705

IUPACbis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
SMILESCCCNS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(S(N)(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H35N5O2.C25H19Cl2N3O2.2C24H26N4O2.2C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C18H17N3O3S.C18H17N3O/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17;2*1-3-28-22-15-19(30-2)9-10-20(22)21(16-25)23(28)17-5-7-18(8-6-17)24(29)27-13-4-11-26-12-14-27;2*1-3-25-18-10-15(28-2)8-9-16(18)17(11-22)20(25)13-4-6-14(7-5-13)21(27)24-12-19(23)26;1-4-24-19-11-15(28-2)7-10-17(19)18(12-22)21(24)14-5-8-16(9-6-14)30(26,27)23-13-20(25)29-3;1-4-12-23-28(25,26)17-9-6-15(7-10-17)21-19(14-22)18-11-8-16(27-3)13-20(18)24(21)5-2;1-3-21-17-10-13(24-2)7-8-15(17)16(11-19)18(21)12-5-4-6-14(9-12)25(20,22)23;1-3-21-17-10-14(22-2)7-8-15(17)16(11-19)18(21)12-5-4-6-13(20)9-12/h7-12,19H,5-6,13-18H2,1-4H3;4-13H,3H2,1-2H3,(H,29,31);2*5-10,15,26H,3-4,11-14H2,1-2H3;2*4-10H,3,12H2,1-2H3,(H2,23,26)(H,24,27);5-11,23H,4,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23);4-10H,3,20H2,1-2H3
InChIKeyLHBAVQOAUIMENB-UHFFFAOYSA-N
MW3967.56 g/mol
LogP36.02
Rot. Bonds54

About bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate

bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate (PubChem CID 159348705) has the molecular formula C221H224Cl2N36O26S3 and a molecular weight of 3967.56 g/mol. Its IUPAC name is bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate.

Molecular Properties

Compound Namebis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
PubChem CID159348705
Molecular FormulaC221H224Cl2N36O26S3
Molecular Weight3967.56 g/mol
Exact Mass3963.59
IUPAC Namebis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
SMILESCCCNS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(S(N)(=O)=O)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C28H35N5O2.C25H19Cl2N3O2.2C24H26N4O2.2C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C18H17N3O3S.C18H17N3O/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17;2*1-3-28-22-15-19(30-2)9-10-20(22)21(16-25)23(28)17-5-7-18(8-6-17)24(29)27-13-4-11-26-12-14-27;2*1-3-25-18-10-15(28-2)8-9-16(18)17(11-22)20(25)13-4-6-14(7-5-13)21(27)24-12-19(23)26;1-4-24-19-11-15(28-2)7-10-17(19)18(12-22)21(24)14-5-8-16(9-6-14)30(26,27)23-13-20(25)29-3;1-4-12-23-28(25,26)17-9-6-15(7-10-17)21-19(14-22)18-11-8-16(27-3)13-20(18)24(21)5-2;1-3-21-17-10-13(24-2)7-8-15(17)16(11-19)18(21)12-5-4-6-14(9-12)25(20,22)23;1-3-21-17-10-14(22-2)7-8-15(17)16(11-19)18(21)12-5-4-6-13(20)9-12/h7-12,19H,5-6,13-18H2,1-4H3;4-13H,3H2,1-2H3,(H,29,31);2*5-10,15,26H,3-4,11-14H2,1-2H3;2*4-10H,3,12H2,1-2H3,(H2,23,26)(H,24,27);5-11,23H,4,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23);4-10H,3,20H2,1-2H3
InChIKeyLHBAVQOAUIMENB-UHFFFAOYSA-N
XLogP36.02
TPSA849.27 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds54
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003967.56
LogP ≤ 536.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Analyze bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;3-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;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-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;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 157870509
N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propan-2-ylbenzamide
CID 158497307
N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;3-cyano-1-ethyl-6-methoxy-N-propylindole-2-sulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[(3-cyano-1-ethyl-6-methoxyindol-2-yl)sulfonylamino]acetate
CID 159074710
N-(4-chlorophenyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(4-methylphenyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-methylpropanamide;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile
CID 159310871
N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile
CID 160370684
N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
CID 160505230
N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;2-(3-aminophenyl)-1-ethyl-6-hydroxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
CID 161177485
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;ethyl N-[3-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile
CID 161680518

Frequently Asked Questions

What is the IUPAC name of bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?
The IUPAC name of bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate (CID 159348705) is bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate.
What is the SMILES notation for bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?
The canonical SMILES for bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate is CCCNS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCCNCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)N3CCN(CCCN(C)C)CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NCC(=O)OC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(S(N)(=O)=O)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?
The InChIKey is LHBAVQOAUIMENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2.C25H19Cl2N3O2.2C24H26N4O2.2C21H20N4O3.C21H21N3O5S.C21H23N3O3S.C18H17N3O3S.C18H17N3O/c1-5-33-26-19-23(35-4)11-12-24(26)25(20-29)27(33)21-7-9-22(10-8-21)28(34)32-17-15-31(16-18-32)14-6-13-30(2)3;1-3-30-23-13-18(32-2)9-10-19(23)20(14-28)24(30)15-4-6-16(7-5-15)25(31)29-17-8-11-21(26)22(27)12-17;2*1-3-28-22-15-19(30-2)9-10-20(22)21(16-25)23(28)17-5-7-18(8-6-17)24(29)27-13-4-11-26-12-14-27;2*1-3-25-18-10-15(28-2)8-9-16(18)17(11-22)20(25)13-4-6-14(7-5-13)21(27)24-12-19(23)26;1-4-24-19-11-15(28-2)7-10-17(19)18(12-22)21(24)14-5-8-16(9-6-14)30(26,27)23-13-20(25)29-3;1-4-12-23-28(25,26)17-9-6-15(7-10-17)21-19(14-22)18-11-8-16(27-3)13-20(18)24(21)5-2;1-3-21-17-10-13(24-2)7-8-15(17)16(11-19)18(21)12-5-4-6-14(9-12)25(20,22)23;1-3-21-17-10-14(22-2)7-8-15(17)16(11-19)18(21)12-5-4-6-13(20)9-12/h7-12,19H,5-6,13-18H2,1-4H3;4-13H,3H2,1-2H3,(H,29,31);2*5-10,15,26H,3-4,11-14H2,1-2H3;2*4-10H,3,12H2,1-2H3,(H2,23,26)(H,24,27);5-11,23H,4,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23);4-10H,3,20H2,1-2H3.
What are the key properties of bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate?
bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate has a molecular weight of 3967.56 g/mol, XLogP of 36.02, 54 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(2-amino-2-oxoethyl)-4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide);2-(3-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(3,4-dichlorophenyl)benzamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;bis(2-[4-(1,4-diazepane-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile);2-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate is sourced from PubChem (CID 159348705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).