N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile

C130H141ClFN21O18S7 — CID 159956786

About N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile (PubChem CID 159956786) has the molecular formula C130H141ClFN21O18S7 and a molecular weight of 2564.61 g/mol. Its IUPAC name is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile
• PubChem CID: 159956786
• Molecular Formula: C130H141ClFN21O18S7
• Molecular Weight: 2564.61 g/mol
• Exact Mass: 2561.85
• IUPAC Name: N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile
• SMILES: CCCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(=O)(=O)CCN3CCSCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(N3CCNS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C25H30N4O3S2.C22H22FN3O3S.C22H25N3O3S.C21H23N3O3S.C20H21ClN4O3S.C20H20N4O3S/c1-4-29-24-17-21(32-3)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)27(2)34(30,31)16-13-28-11-14-33-15-12-28;1-2-25-21-14-18(29-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-30(26,27)28;1-4-6-13-25-21-14-18(28-3)11-12-19(21)20(15-23)22(25)16-7-9-17(10-8-16)24-29(26,27)5-2;1-4-5-12-24-20-13-17(27-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-3-25-19-12-16(28-2)7-8-17(19)18(13-22)20(25)14-5-4-6-15(11-14)24-29(26,27)23-10-9-21;1-3-23-19-12-16(27-2)7-8-17(19)18(13-21)20(23)14-5-4-6-15(11-14)24-10-9-22-28(24,25)26/h5-10,17H,4,11-16H2,1-3H3;4-9,14H,2-3,10-13H2,1H3;7-12,14,24H,4-6,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;4-8,11-12,23-24H,3,9-10H2,1-2H3;4-8,11-12,22H,3,9-10H2,1-2H3
• InChIKey: OCUVUEQNKRJRIQ-UHFFFAOYSA-N
• XLogP: 23.78
• TPSA: 505.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2564.61
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?

The IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile (CID 159956786) is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile.

What is the SMILES notation for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?

The canonical SMILES for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile is CCCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N(C)S(=O)(=O)CCN3CCSCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(N3CCNS3(=O)=O)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)NCCCl)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?

The InChIKey is OCUVUEQNKRJRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S2.C22H22FN3O3S.C22H25N3O3S.C21H23N3O3S.C20H21ClN4O3S.C20H20N4O3S/c1-4-29-24-17-21(32-3)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)27(2)34(30,31)16-13-28-11-14-33-15-12-28;1-2-25-21-14-18(29-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-30(26,27)28;1-4-6-13-25-21-14-18(28-3)11-12-19(21)20(15-23)22(25)16-7-9-17(10-8-16)24-29(26,27)5-2;1-4-5-12-24-20-13-17(27-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-3-25-19-12-16(28-2)7-8-17(19)18(13-22)20(25)14-5-4-6-15(11-14)24-29(26,27)23-10-9-21;1-3-23-19-12-16(27-2)7-8-17(19)18(13-21)20(23)14-5-4-6-15(11-14)24-10-9-22-28(24,25)26/h5-10,17H,4,11-16H2,1-3H3;4-9,14H,2-3,10-13H2,1H3;7-12,14,24H,4-6,13H2,1-3H3;6-11,13,23H,4-5,12H2,1-3H3;4-8,11-12,23-24H,3,9-10H2,1-2H3;4-8,11-12,22H,3,9-10H2,1-2H3.

What are the key properties of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile has a molecular weight of 2564.61 g/mol, XLogP of 23.78, 41 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;2-[3-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[3-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile is sourced from PubChem (CID 159956786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).