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

C119H109N15O12S — CID 158834867

About 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

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 (PubChem CID 158834867) has the molecular formula C119H109N15O12S and a molecular weight of 1973.34 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158834867
• Molecular Formula: C119H109N15O12S
• Molecular Weight: 1973.34 g/mol
• Exact Mass: 1971.81
• IUPAC Name: 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
• SMILES: CCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2cc3ccccc3o2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(-c3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccco2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccsc3)n(C)c2c1
• InChI: InChI=1S/C24H20N2O.C23H26N4O3.C21H21N3O3.C20H16N2O2.C16H14N2O2.C15H12N2OS/c1-3-26-23-15-20(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;1-3-22-17-11-14(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;1-17-14-7-11(18-2)3-4-12(14)13(8-16)15(17)10-5-6-19-9-10/h4-15H,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);4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;3-7,9H,1-2H3
• InChIKey: IXMSPFFYANTQTJ-UHFFFAOYSA-N
• XLogP: 25.66
• TPSA: 342.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1973.34
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCNC(=O)NCCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2cc3ccccc3o2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(-c3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(OCCNC=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccco2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccsc3)n(C)c2c1.

What is the InChIKey of 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?

The InChIKey is IXMSPFFYANTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O.C23H26N4O3.C21H21N3O3.C20H16N2O2.C16H14N2O2.C15H12N2OS/c1-3-26-23-15-20(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;1-3-22-17-11-14(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;1-17-14-7-11(18-2)3-4-12(14)13(8-16)15(17)10-5-6-19-9-10/h4-15H,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);4-11H,3H2,1-2H3;4-9H,3H2,1-2H3;3-7,9H,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1973.34 g/mol, XLogP of 25.66, 28 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158834867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).