N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile

C115H126FN17O15S6 — CID 157185312

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile (PubChem CID 157185312) has the molecular formula C115H126FN17O15S6 and a molecular weight of 2197.78 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile
• PubChem CID: 157185312
• Molecular Formula: C115H126FN17O15S6
• Molecular Weight: 2197.78 g/mol
• Exact Mass: 2195.79
• IUPAC Name: N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(N(C)S(=O)(=O)CCN3CCCC3)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(-c2ccc3c(c2)CCN3S(=O)(=O)CC)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)CCN3S(C)(=O)=O)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C25H30N4O3S2.C25H30N4O3S.C22H22FN3O3S.C22H23N3O3S.C21H21N3O3S/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;1-4-29-24-17-21(32-3)11-12-22(24)23(18-26)25(29)19-7-9-20(10-8-19)27(2)33(30,31)16-15-28-13-5-6-14-28;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;1-4-24-21-13-17(28-3)7-8-18(21)19(14-23)22(24)16-6-9-20-15(12-16)10-11-25(20)29(26,27)5-2;1-4-23-20-12-16(27-2)6-7-17(20)18(13-22)21(23)15-5-8-19-14(11-15)9-10-24(19)28(3,25)26/h5-10,17H,4,11-16H2,1-3H3;7-12,17H,4-6,13-16H2,1-3H3;4-9,14H,2-3,10-13H2,1H3;6-9,12-13H,4-5,10-11H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3
• InChIKey: APAXZIGZBFVQQH-UHFFFAOYSA-N
• XLogP: 19.63
• TPSA: 383.13 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2197.78
LogP ≤ 5	19.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile?

The IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile (CID 157185312) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile.

What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile?

The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile is CCn1c(-c2ccc(N(C)S(=O)(=O)CCN3CCCC3)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(-c2ccc3c(c2)CCN3S(=O)(=O)CC)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)CCN3S(C)(=O)=O)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile?

The InChIKey is APAXZIGZBFVQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S2.C25H30N4O3S.C22H22FN3O3S.C22H23N3O3S.C21H21N3O3S/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;1-4-29-24-17-21(32-3)11-12-22(24)23(18-26)25(29)19-7-9-20(10-8-19)27(2)33(30,31)16-15-28-13-5-6-14-28;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;1-4-24-21-13-17(28-3)7-8-18(21)19(14-23)22(24)16-6-9-20-15(12-16)10-11-25(20)29(26,27)5-2;1-4-23-20-12-16(27-2)6-7-17(20)18(13-22)21(23)15-5-8-19-14(11-15)9-10-24(19)28(3,25)26/h5-10,17H,4,11-16H2,1-3H3;7-12,17H,4-6,13-16H2,1-3H3;4-9,14H,2-3,10-13H2,1H3;6-9,12-13H,4-5,10-11H2,1-3H3;5-8,11-12H,4,9-10H2,1-3H3.

What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile?

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile has a molecular weight of 2197.78 g/mol, XLogP of 19.63, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-thiomorpholin-4-ylethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;1-ethyl-2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)indole-3-carbonitrile is sourced from PubChem (CID 157185312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).