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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate

C127H127FN16O17S2 — CID 158121354

About 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate

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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (PubChem CID 158121354) has the molecular formula C127H127FN16O17S2 and a molecular weight of 2232.64 g/mol. Its IUPAC name is 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
• PubChem CID: 158121354
• Molecular Formula: C127H127FN16O17S2
• Molecular Weight: 2232.64 g/mol
• Exact Mass: 2230.90
• IUPAC Name: 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCS(=O)(=O)Cc1cccc(-c2c(C#N)c3cc(OC)ccc3n2C)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1.CCn1c(-c2ccc3occc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2cccc(NC(=O)OCCF)c2)c(C#N)c2ccc(OC(C)C)cc21
• InChI: InChI=1S/C23H24FN3O3.C23H25N3O3.C22H23N3O3.C20H20N2O3S.C20H16N2O2.C19H19N3O3S/c1-4-27-21-13-18(30-15(2)3)8-9-19(21)20(14-25)22(27)16-6-5-7-17(12-16)26-23(28)29-11-10-24;1-5-26-21-13-18(29-15(3)4)10-11-19(21)20(14-24)22(26)16-8-7-9-17(12-16)25-23(27)28-6-2;1-5-25-20-12-17(28-14(2)3)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)27-4;1-4-26(23,24)13-14-6-5-7-15(10-14)20-18(12-21)17-11-16(25-3)8-9-19(17)22(20)2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-11-15(25-3)9-10-18(16)22(19)2/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,26,28);7-13,15H,5-6H2,1-4H3,(H,25,27);6-12,14H,5H2,1-4H3,(H,24,26);5-11H,4,13H2,1-3H3;4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3
• InChIKey: FRQHXUOOZWRGCH-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 436.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2232.64
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?

The IUPAC name of 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate (CID 158121354) is 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate.

What is the SMILES notation for 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?

The canonical SMILES for 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OC(C)C)cc3n2CC)c1.CCS(=O)(=O)Cc1cccc(-c2c(C#N)c3cc(OC)ccc3n2C)c1.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3cc(OC)ccc3n2C)cc1.CCn1c(-c2ccc3occc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC)c2)c(C#N)c2ccc(OC(C)C)cc21.CCn1c(-c2cccc(NC(=O)OCCF)c2)c(C#N)c2ccc(OC(C)C)cc21.

What is the InChIKey of 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?

The InChIKey is FRQHXUOOZWRGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3.C23H25N3O3.C22H23N3O3.C20H20N2O3S.C20H16N2O2.C19H19N3O3S/c1-4-27-21-13-18(30-15(2)3)8-9-19(21)20(14-25)22(27)16-6-5-7-17(12-16)26-23(28)29-11-10-24;1-5-26-21-13-18(29-15(3)4)10-11-19(21)20(14-24)22(26)16-8-7-9-17(12-16)25-23(27)28-6-2;1-5-25-20-12-17(28-14(2)3)9-10-18(20)19(13-23)21(25)15-7-6-8-16(11-15)24-22(26)27-4;1-4-26(23,24)13-14-6-5-7-15(10-14)20-18(12-21)17-11-16(25-3)8-9-19(17)22(20)2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-4-26(23,24)21-14-7-5-13(6-8-14)19-17(12-20)16-11-15(25-3)9-10-18(16)22(19)2/h5-9,12-13,15H,4,10-11H2,1-3H3,(H,26,28);7-13,15H,5-6H2,1-4H3,(H,25,27);6-12,14H,5H2,1-4H3,(H,24,26);5-11H,4,13H2,1-3H3;4-11H,3H2,1-2H3;5-11,21H,4H2,1-3H3.

What are the key properties of 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate?

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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate has a molecular weight of 2232.64 g/mol, XLogP of 28.33, 31 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-fluoroethyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate;methyl N-[3-(3-cyano-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158121354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).