2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile

C239H225N31O28S5 — CID 158324550

IUPAC2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
SMILESCCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2cc3ccccc3o2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(-c3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCC(=O)N3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccco2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccsc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H25N3O4.C24H20N2O.C23H26N4O3.C21H21N3O3.C20H21N3O3S.C20H16N2O2.C20H16N2OS.C19H19N3O3S.C18H17N3O3S.C18H16N2O2.C16H14N2O2.C16H14N2OS/c1-3-27-22-12-19(30-2)8-9-20(22)21(13-25)24(27)16-4-6-18(7-5-16)31-15-23(29)26-11-10-17(28)14-26;1-3-26-23-15-20(27-2)13-14-21(23)22(16-25)24(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-4-25-23(28)26-12-13-30-17-8-6-16(7-9-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-24-20-12-17(26-2)8-9-18(20)19(13-22)21(24)15-4-6-16(7-5-15)27-11-10-23-14-25;1-4-23-19-12-16(26-3)9-10-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2;2*1-3-22-17-11-14(23-2)8-9-15(17)16(12-21)20(22)19-10-13-6-4-5-7-18(13)24-19;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23;1-3-20-17-10-14(22-2)7-8-15(17)16(11-19)18(20)12-5-4-6-13(21)9-12;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15;1-3-18-15-8-12(19-2)4-5-13(15)14(9-17)16(18)11-6-7-20-10-11/h4-9,12,17,28H,3,10-11,14-15H2,1-2H3;4-15H,3H2,1-2H3;6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4-9,12,14H,3,10-11H2,1-2H3,(H,23,25);6-12,22H,4-5H2,1-3H3;2*4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23);4-10,21H,3H2,1-2H3;4-9H,3H2,1-2H3;4-8,10H,3H2,1-2H3/t17-;;;;;;;;;;;/m0.........../s1
InChIKeyGPGCOVFIFWNBSX-MCVIAIEASA-N
MW4139.95 g/mol
LogP48.60
Rot. Bonds56

About 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile

2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile (PubChem CID 158324550) has the molecular formula C239H225N31O28S5 and a molecular weight of 4139.95 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
PubChem CID158324550
Molecular FormulaC239H225N31O28S5
Molecular Weight4139.95 g/mol
Exact Mass4136.57
IUPAC Name2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
SMILESCCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2cc3ccccc3o2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(-c3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCC(=O)N3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccco2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccsc2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C24H25N3O4.C24H20N2O.C23H26N4O3.C21H21N3O3.C20H21N3O3S.C20H16N2O2.C20H16N2OS.C19H19N3O3S.C18H17N3O3S.C18H16N2O2.C16H14N2O2.C16H14N2OS/c1-3-27-22-12-19(30-2)8-9-20(22)21(13-25)24(27)16-4-6-18(7-5-16)31-15-23(29)26-11-10-17(28)14-26;1-3-26-23-15-20(27-2)13-14-21(23)22(16-25)24(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-4-25-23(28)26-12-13-30-17-8-6-16(7-9-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-24-20-12-17(26-2)8-9-18(20)19(13-22)21(24)15-4-6-16(7-5-15)27-11-10-23-14-25;1-4-23-19-12-16(26-3)9-10-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2;2*1-3-22-17-11-14(23-2)8-9-15(17)16(12-21)20(22)19-10-13-6-4-5-7-18(13)24-19;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23;1-3-20-17-10-14(22-2)7-8-15(17)16(11-19)18(20)12-5-4-6-13(21)9-12;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15;1-3-18-15-8-12(19-2)4-5-13(15)14(9-17)16(18)11-6-7-20-10-11/h4-9,12,17,28H,3,10-11,14-15H2,1-2H3;4-15H,3H2,1-2H3;6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4-9,12,14H,3,10-11H2,1-2H3,(H,23,25);6-12,22H,4-5H2,1-3H3;2*4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23);4-10,21H,3H2,1-2H3;4-9H,3H2,1-2H3;4-8,10H,3H2,1-2H3/t17-;;;;;;;;;;;/m0.........../s1
InChIKeyGPGCOVFIFWNBSX-MCVIAIEASA-N
XLogP48.60
TPSA792.87 Ų
H-Bond Donors8
H-Bond Acceptors54
Rotatable Bonds56
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004139.95
LogP ≤ 548.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1054

Analyze 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile with MolForge

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Related Compounds

2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 157120775
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 157289030
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-thiophen-3-ylindole-3-carbonitrile
CID 158834867
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile
CID 158923182
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile
CID 159453360
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 159565279
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 159594332
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-ethylbenzamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;bis(1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile);1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile
CID 160090667
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile
CID 160300230
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile
CID 160644332
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;1-ethyl-2-[4-(2-hydroxyethoxy)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-methoxyethoxy)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylsulfanylphenyl)indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-ethyl-5-methoxy-2-[4-(pyrrolidine-1-carbonyl)phenyl]indole-3-carbonitrile
CID 160908239
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile;methane
CID 161251906

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile (CID 158324550) is 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile is CCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2cc3ccccc3o2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(-c3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCC(=O)N3CC[C@H](O)C3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccco2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccsc2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
The InChIKey is GPGCOVFIFWNBSX-MCVIAIEASA-N. The full InChI is InChI=1S/C24H25N3O4.C24H20N2O.C23H26N4O3.C21H21N3O3.C20H21N3O3S.C20H16N2O2.C20H16N2OS.C19H19N3O3S.C18H17N3O3S.C18H16N2O2.C16H14N2O2.C16H14N2OS/c1-3-27-22-12-19(30-2)8-9-20(22)21(13-25)24(27)16-4-6-18(7-5-16)31-15-23(29)26-11-10-17(28)14-26;1-3-26-23-15-20(27-2)13-14-21(23)22(16-25)24(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-4-25-23(28)26-12-13-30-17-8-6-16(7-9-17)22-20(15-24)19-11-10-18(29-3)14-21(19)27(22)5-2;1-3-24-20-12-17(26-2)8-9-18(20)19(13-22)21(24)15-4-6-16(7-5-15)27-11-10-23-14-25;1-4-23-19-12-16(26-3)9-10-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2;2*1-3-22-17-11-14(23-2)8-9-15(17)16(12-21)20(22)19-10-13-6-4-5-7-18(13)24-19;1-4-22-18-11-14(25-3)7-10-16(18)17(12-20)19(22)13-5-8-15(9-6-13)26(23,24)21-2;1-3-21-17-10-13(24-2)6-9-15(17)16(11-19)18(21)12-4-7-14(8-5-12)25(20,22)23;1-3-20-17-10-14(22-2)7-8-15(17)16(11-19)18(20)12-5-4-6-13(21)9-12;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15;1-3-18-15-8-12(19-2)4-5-13(15)14(9-17)16(18)11-6-7-20-10-11/h4-9,12,17,28H,3,10-11,14-15H2,1-2H3;4-15H,3H2,1-2H3;6-11,14H,4-5,12-13H2,1-3H3,(H2,25,26,28);4-9,12,14H,3,10-11H2,1-2H3,(H,23,25);6-12,22H,4-5H2,1-3H3;2*4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3;4-10H,3H2,1-2H3,(H2,20,22,23);4-10,21H,3H2,1-2H3;4-9H,3H2,1-2H3;4-8,10H,3H2,1-2H3/t17-;;;;;;;;;;;/m0.........../s1.
What are the key properties of 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile?
2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile has a molecular weight of 4139.95 g/mol, XLogP of 48.60, 56 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-methylbenzenesulfonamide;1-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]-3-ethylurea;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]formamide;N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;1-ethyl-2-(furan-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-(3-hydroxyphenyl)-6-methoxyindole-3-carbonitrile;1-ethyl-2-[4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-phenylphenyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile is sourced from PubChem (CID 158324550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).