N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile

C106H111N15O15S5 — CID 157289710

About N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile

N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 157289710) has the molecular formula C106H111N15O15S5 and a molecular weight of 1995.48 g/mol. Its IUPAC name is N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile
• PubChem CID: 157289710
• Molecular Formula: C106H111N15O15S5
• Molecular Weight: 1995.48 g/mol
• Exact Mass: 1993.70
• IUPAC Name: N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile
• SMILES: CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C22H23N3O3S.2C21H21N3O3S.2C21H23N3O3S/c1-3-29(26,27)24-16-9-7-15(8-10-16)22-20(14-23)19-12-11-18(28-2)13-21(19)25(22)17-5-4-6-17;1-27-17-10-11-18-19(13-22)21(24(20(18)12-17)16-4-3-5-16)14-6-8-15(9-7-14)23-28(2,25)26;1-3-23-20-13-17(27-2)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)24-11-4-12-28(24,25)26;1-5-24-20-12-17(27-4)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3;1-4-12-24-20-13-17(27-3)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(25,26)5-2/h7-13,17,24H,3-6H2,1-2H3;6-12,16,23H,3-5H2,1-2H3;5-10,13H,3-4,11-12H2,1-2H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3
• InChIKey: BAQROEYWFLWQBJ-UHFFFAOYSA-N
• XLogP: 21.43
• TPSA: 411.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1995.48
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?

The IUPAC name of N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile (CID 157289710) is N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile.

What is the SMILES notation for N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?

The canonical SMILES for N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile is CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(C3CCC3)c2c1.

What is the InChIKey of N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?

The InChIKey is BAQROEYWFLWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S.2C21H21N3O3S.2C21H23N3O3S/c1-3-29(26,27)24-16-9-7-15(8-10-16)22-20(14-23)19-12-11-18(28-2)13-21(19)25(22)17-5-4-6-17;1-27-17-10-11-18-19(13-22)21(24(20(18)12-17)16-4-3-5-16)14-6-8-15(9-7-14)23-28(2,25)26;1-3-23-20-13-17(27-2)9-10-18(20)19(14-22)21(23)15-5-7-16(8-6-15)24-11-4-12-28(24,25)26;1-5-24-20-12-17(27-4)10-11-18(20)19(13-22)21(24)15-6-8-16(9-7-15)23-28(25,26)14(2)3;1-4-12-24-20-13-17(27-3)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(25,26)5-2/h7-13,17,24H,3-6H2,1-2H3;6-12,16,23H,3-5H2,1-2H3;5-10,13H,3-4,11-12H2,1-2H3;6-12,14,23H,5H2,1-4H3;6-11,13,23H,4-5,12H2,1-3H3.

What are the key properties of N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile?

N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 1995.48 g/mol, XLogP of 21.43, 28 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 157289710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).