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

C119H114ClN15O15S3 — CID 158923182

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;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

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 (PubChem CID 158923182) has the molecular formula C119H114ClN15O15S3 and a molecular weight of 2125.96 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;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.

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;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
• PubChem CID: 158923182
• Molecular Formula: C119H114ClN15O15S3
• Molecular Weight: 2125.96 g/mol
• Exact Mass: 2123.75
• 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;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
• SMILES: CCn1c(-c2cc3ccccc3s2)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(-c2cccc(NS(=O)(=O)CCCCl)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
• InChI: InChI=1S/C24H25N3O4.C21H22ClN3O3S.C20H21N3O3S.C20H16N2OS.C18H16N2O2.C16H14N2O2/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;1-3-25-20-13-17(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;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h4-9,12,17,28H,3,10-11,14-15H2,1-2H3;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;4-9H,3H2,1-2H3/t17-;;;;;/m0...../s1
• InChIKey: JICFMUUZDCEEHQ-VCPBINOTSA-N
• XLogP: 24.87
• TPSA: 403.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.96
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

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;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?

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;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) 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;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.

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;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?

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;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 is CCn1c(-c2cc3ccccc3s2)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(-c2cccc(NS(=O)(=O)CCCCl)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.

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;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?

The InChIKey is JICFMUUZDCEEHQ-VCPBINOTSA-N. The full InChI is InChI=1S/C24H25N3O4.C21H22ClN3O3S.C20H21N3O3S.C20H16N2OS.C18H16N2O2.C16H14N2O2/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;1-3-25-20-13-17(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;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h4-9,12,17,28H,3,10-11,14-15H2,1-2H3;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;4-9H,3H2,1-2H3/t17-;;;;;/m0...../s1.

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;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?

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 has a molecular weight of 2125.96 g/mol, XLogP of 24.87, 29 rotatable bonds, 4 hydrogen bond donors, and 28 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;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 is sourced from PubChem (CID 158923182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).