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

C104H103ClN14O12S3 — CID 159453360

About 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

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 (PubChem CID 159453360) has the molecular formula C104H103ClN14O12S3 and a molecular weight of 1872.71 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159453360
• Molecular Formula: C104H103ClN14O12S3
• Molecular Weight: 1872.71 g/mol
• Exact Mass: 1870.67
• IUPAC Name: 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
• SMILES: CCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CCCCl)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(O)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C25H28N4O3.C21H22ClN3O3S.C20H21N3O3S.C20H16N2OS.C18H16N2O2/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28;1-3-25-20-13-17(28-2)8-9-18(20)19(14-23)21(25)15-6-4-7-16(12-15)24-29(26,27)11-5-10-22;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;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;1-3-20-17-10-14(22-2)7-8-15(17)16(11-19)18(20)12-5-4-6-13(21)9-12/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);4,6-9,12-13,24H,3,5,10-11H2,1-2H3;6-12,22H,4-5H2,1-3H3;4-11H,3H2,1-2H3;4-10,21H,3H2,1-2H3
• InChIKey: LTQSQPQYGBXFOV-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 343.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.71
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCn1c(-c2cc3ccccc3s2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CCCCl)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(O)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 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?

The InChIKey is LTQSQPQYGBXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3.C21H22ClN3O3S.C20H21N3O3S.C20H16N2OS.C18H16N2O2/c1-3-29-23-16-20(31-2)7-8-21(23)22(17-26)24(29)18-5-4-6-19(15-18)25(30)27-9-10-28-11-13-32-14-12-28;1-3-25-20-13-17(28-2)8-9-18(20)19(14-23)21(25)15-6-4-7-16(12-15)24-29(26,27)11-5-10-22;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;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;1-3-20-17-10-14(22-2)7-8-15(17)16(11-19)18(20)12-5-4-6-13(21)9-12/h4-8,15-16H,3,9-14H2,1-2H3,(H,27,30);4,6-9,12-13,24H,3,5,10-11H2,1-2H3;6-12,22H,4-5H2,1-3H3;4-11H,3H2,1-2H3;4-10,21H,3H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1872.71 g/mol, XLogP of 21.16, 27 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159453360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).