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

C141H130N16O14S3 — CID 161251906

IUPAC2-(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
SMILESC.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(-c2cccc(NS(=O)(=O)CC)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.C20H21N3O3S.C20H16N2O2.C20H16N2OS.C16H14N2O2.C16H14N2OS.CH4/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;1-4-23-19-12-16(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;1-3-18-14-9-11(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;6-12,22H,4-5H2,1-3H3;2*4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;4-8,10H,3H2,1-2H3;1H4/t17-;;;;;;;/m0......./s1
InChIKeyVBJNBWTUQKYQCV-VJLWYOCBSA-N
MW2368.89 g/mol
LogP32.11
Rot. Bonds28

About 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

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 (PubChem CID 161251906) has the molecular formula C141H130N16O14S3 and a molecular weight of 2368.89 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;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.

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;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
PubChem CID161251906
Molecular FormulaC141H130N16O14S3
Molecular Weight2368.89 g/mol
Exact Mass2366.91
IUPAC Name2-(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
SMILESC.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(-c2cccc(NS(=O)(=O)CC)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.C20H21N3O3S.C20H16N2O2.C20H16N2OS.C16H14N2O2.C16H14N2OS.CH4/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;1-4-23-19-12-16(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;1-3-18-14-9-11(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;6-12,22H,4-5H2,1-3H3;2*4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;4-8,10H,3H2,1-2H3;1H4/t17-;;;;;;;/m0......./s1
InChIKeyVBJNBWTUQKYQCV-VJLWYOCBSA-N
XLogP32.11
TPSA387.87 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.89
LogP ≤ 532.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze 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 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-[4-(2-aminoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(2-azidoethoxy)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]ethanesulfonamide;N-[2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]ethyl]methanesulfonamide;6-ethoxy-1-ethyl-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile
CID 157319266
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
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-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
2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile
CID 159311307
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

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;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?
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;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) is 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.
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;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?
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;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 is C.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(-c2cccc(NS(=O)(=O)CC)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;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?
The InChIKey is VBJNBWTUQKYQCV-VJLWYOCBSA-N. The full InChI is InChI=1S/C24H25N3O4.C24H20N2O.C20H21N3O3S.C20H16N2O2.C20H16N2OS.C16H14N2O2.C16H14N2OS.CH4/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;1-4-23-19-12-16(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;1-3-18-14-9-11(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;6-12,22H,4-5H2,1-3H3;2*4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;4-8,10H,3H2,1-2H3;1H4/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;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?
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 has a molecular weight of 2368.89 g/mol, XLogP of 32.11, 28 rotatable bonds, 2 hydrogen bond donors, and 30 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;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 is sourced from PubChem (CID 161251906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).