2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate

C122H123N15O17S3 — CID 159092646

IUPAC2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCS(=O)(=O)Cc1cccc(-c2c(C#N)c3cc(OC)ccc3n2C)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1.CCS(=O)(=O)Nc1ccc(-c2cc3c(OC)cccc3n2C)cc1.CCn1c(-c2ccc3occc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H25N3O3.C22H23N3O3.C20H20N2O3S.C20H16N2O2.C19H19N3O3S.C18H20N2O3S/c1-5-26-21-13-18(29-15(3)4)10-11-19(21)20(14-24)22(26)16-8-7-9-17(12-16)25-23(27)28-6-2;1-5-25-20-12-17(28-14(2)3)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)27-4;1-4-26(23,24)13-14-6-5-7-15(10-14)20-18(12-21)17-11-16(25-3)8-9-19(17)22(20)2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-11-15(25-3)9-10-18(16)22(19)2;1-4-24(21,22)19-14-10-8-13(9-11-14)17-12-15-16(20(17)2)6-5-7-18(15)23-3/h7-13,15H,5-6H2,1-4H3,(H,25,27);6-12,14H,5H2,1-4H3,(H,24,26);5-11H,4,13H2,1-3H3;4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3;5-12,19H,4H2,1-3H3
InChIKeyKCGMBNZFPBILSL-UHFFFAOYSA-N
MW2167.61 g/mol
LogP26.44
Rot. Bonds29

About 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate

2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 159092646) has the molecular formula C122H123N15O17S3 and a molecular weight of 2167.61 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
PubChem CID159092646
Molecular FormulaC122H123N15O17S3
Molecular Weight2167.61 g/mol
Exact Mass2165.84
IUPAC Name2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCS(=O)(=O)Cc1cccc(-c2c(C#N)c3cc(OC)ccc3n2C)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1.CCS(=O)(=O)Nc1ccc(-c2cc3c(OC)cccc3n2C)cc1.CCn1c(-c2ccc3occc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC(C)C)cc21
InChIInChI=1S/C23H25N3O3.C22H23N3O3.C20H20N2O3S.C20H16N2O2.C19H19N3O3S.C18H20N2O3S/c1-5-26-21-13-18(29-15(3)4)10-11-19(21)20(14-24)22(26)16-8-7-9-17(12-16)25-23(27)28-6-2;1-5-25-20-12-17(28-14(2)3)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)27-4;1-4-26(23,24)13-14-6-5-7-15(10-14)20-18(12-21)17-11-16(25-3)8-9-19(17)22(20)2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-11-15(25-3)9-10-18(16)22(19)2;1-4-24(21,22)19-14-10-8-13(9-11-14)17-12-15-16(20(17)2)6-5-7-18(15)23-3/h7-13,15H,5-6H2,1-4H3,(H,25,27);6-12,14H,5H2,1-4H3,(H,24,26);5-11H,4,13H2,1-3H3;4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3;5-12,19H,4H2,1-3H3
InChIKeyKCGMBNZFPBILSL-UHFFFAOYSA-N
XLogP26.44
TPSA420.19 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002167.61
LogP ≤ 526.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 158418916
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;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 158445629
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;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;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;2-fluoroethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;2-methoxyethyl 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;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;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;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate
CID 159462376
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-2-phenylacetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]-3-phenylpropanamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-methyl-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propyl-6-(trifluoromethoxy)indole-3-carbonitrile
CID 159829215
2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;ethyl N-[4-(3-cyano-1-ethyl-5-phenylmethoxyindol-2-yl)phenyl]carbamate
CID 159897467
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;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;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 160752669
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate
CID 161199032
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]cyclobutanecarboxamide;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-propan-2-ylbenzamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 161351918
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;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-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 161461739
CID 161540384
CID 161540384
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;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;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]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;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]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;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate
CID 161901315
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;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;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 161980721

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The IUPAC name of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (CID 159092646) is 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCS(=O)(=O)Cc1cccc(-c2c(C#N)c3cc(OC)ccc3n2C)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1.CCS(=O)(=O)Nc1ccc(-c2cc3c(OC)cccc3n2C)cc1.CCn1c(-c2ccc3occc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC(C)C)cc21.
What is the InChIKey of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
The InChIKey is KCGMBNZFPBILSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C22H23N3O3.C20H20N2O3S.C20H16N2O2.C19H19N3O3S.C18H20N2O3S/c1-5-26-21-13-18(29-15(3)4)10-11-19(21)20(14-24)22(26)16-8-7-9-17(12-16)25-23(27)28-6-2;1-5-25-20-12-17(28-14(2)3)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)27-4;1-4-26(23,24)13-14-6-5-7-15(10-14)20-18(12-21)17-11-16(25-3)8-9-19(17)22(20)2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-11-15(25-3)9-10-18(16)22(19)2;1-4-24(21,22)19-14-10-8-13(9-11-14)17-12-15-16(20(17)2)6-5-7-18(15)23-3/h7-13,15H,5-6H2,1-4H3,(H,25,27);6-12,14H,5H2,1-4H3,(H,24,26);5-11H,4,13H2,1-3H3;4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3;5-12,19H,4H2,1-3H3.
What are the key properties of 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?
2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 2167.61 g/mol, XLogP of 26.44, 29 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;ethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;2-[3-(ethylsulfonylmethyl)phenyl]-5-methoxy-1-methylindole-3-carbonitrile;N-[4-(4-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 159092646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).