2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile

C131H142FN25O17S3 — CID 157398681

About 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile

2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile (PubChem CID 157398681) has the molecular formula C131H142FN25O17S3 and a molecular weight of 2453.93 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile
• PubChem CID: 157398681
• Molecular Formula: C131H142FN25O17S3
• Molecular Weight: 2453.93 g/mol
• Exact Mass: 2452.02
• IUPAC Name: 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile
• SMILES: CCNS(=O)(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)cc1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(NS(=O)(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)NC)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C27H32N4O4.C25H26N6O3.C21H24N4O3S.C20H22N4O3S.C19H18FN3O.C19H20N4O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-23-14-20(34-13-5-12-30-17-27-16-28-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2;1-5-25-20-12-17(28-4)9-10-18(20)19(13-22)21(25)15-7-6-8-16(11-15)24-29(26,27)23-14(2)3;1-4-22-28(25,26)23-15-8-6-7-14(11-15)20-18(13-21)17-10-9-16(27-3)12-19(17)24(20)5-2;1-2-23-18-11-15(24-10-9-20)7-8-16(18)17(12-21)19(23)13-3-5-14(22)6-4-13;1-4-23-18-11-15(26-3)8-9-16(18)17(12-20)19(23)13-6-5-7-14(10-13)22-27(24,25)21-2/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32);6-12,14,23-24H,5H2,1-4H3;6-12,22-23H,4-5H2,1-3H3;3-8,11H,2,9-10,22H2,1H3;5-11,21-22H,4H2,1-3H3
• InChIKey: BMWRMFZJXWKRGT-UHFFFAOYSA-N
• XLogP: 24.25
• TPSA: 548.16 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 43
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2453.93
LogP ≤ 5	24.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?

The IUPAC name of 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile (CID 157398681) is 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile.

What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?

The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile is CCNS(=O)(=O)Nc1cccc(-c2c(C#N)c3ccc(OC)cc3n2CC)c1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2CC)cc1.CCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(-c2cccc(NS(=O)(=O)NC(C)C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)NC)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?

The InChIKey is BMWRMFZJXWKRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C25H26N6O3.C21H24N4O3S.C20H22N4O3S.C19H18FN3O.C19H20N4O3S/c1-3-31-25-18-22(35-15-5-12-30-13-16-33-17-14-30)10-11-23(25)24(19-28)26(31)20-6-8-21(9-7-20)29-27(32)34-4-2;1-3-31-23-14-20(34-13-5-12-30-17-27-16-28-30)10-11-21(23)22(15-26)24(31)18-6-8-19(9-7-18)29-25(32)33-4-2;1-5-25-20-12-17(28-4)9-10-18(20)19(13-22)21(25)15-7-6-8-16(11-15)24-29(26,27)23-14(2)3;1-4-22-28(25,26)23-15-8-6-7-14(11-15)20-18(13-21)17-10-9-16(27-3)12-19(17)24(20)5-2;1-2-23-18-11-15(24-10-9-20)7-8-16(18)17(12-21)19(23)13-3-5-14(22)6-4-13;1-4-23-18-11-15(26-3)8-9-16(18)17(12-20)19(23)13-6-5-7-14(10-13)22-27(24,25)21-2/h6-11,18H,3-5,12-17H2,1-2H3,(H,29,32);6-11,14,16-17H,3-5,12-13H2,1-2H3,(H,29,32);6-12,14,23-24H,5H2,1-4H3;6-12,22-23H,4-5H2,1-3H3;3-8,11H,2,9-10,22H2,1H3;5-11,21-22H,4H2,1-3H3.

What are the key properties of 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile?

2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile has a molecular weight of 2453.93 g/mol, XLogP of 24.25, 43 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile;ethyl N-[4-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;1-ethyl-2-[3-(ethylsulfamoylamino)phenyl]-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(methylsulfamoylamino)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[3-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 157398681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).