N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate

C137H119F9N20O13S3 — CID 159624797

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate (PubChem CID 159624797) has the molecular formula C137H119F9N20O13S3 and a molecular weight of 2520.77 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 159624797
• Molecular Formula: C137H119F9N20O13S3
• Molecular Weight: 2520.77 g/mol
• Exact Mass: 2518.83
• IUPAC Name: N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• SMILES: C=CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(N/C(C)=C/C#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C27H22N4O3S.2C22H20F3N3O2.C22H18F3N3O2.C22H20N4O.C22H19N3O3S2/c1-3-31-24-16-21(34-2)13-14-22(24)23(17-28)27(31)19-9-11-20(12-10-19)30-35(32,33)25-8-4-6-18-7-5-15-29-26(18)25;1-4-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)14-5-8-16(9-6-14)27-21(29)30-13(2)3;2*1-3-11-30-21(29)27-16-8-5-14(6-9-16)20-18(13-26)17-10-7-15(22(23,24)25)12-19(17)28(20)4-2;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23;1-3-25-20-13-17(28-2)10-11-18(20)19(14-23)22(25)15-6-8-16(9-7-15)24-30(26,27)21-5-4-12-29-21/h4-16,30H,3H2,1-2H3;5-11,13H,4H2,1-3H3,(H,27,29);5-10,12H,3-4,11H2,1-2H3,(H,27,29);3,5-10,12H,1,4,11H2,2H3,(H,27,29);5-11,13,25H,4H2,1-3H3;4-13,24H,3H2,1-2H3/b;;;;15-11+
• InChIKey: MOIRNTOQXPFLJA-LDNNHINWSA-N
• XLogP: 33.98
• TPSA: 456.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2520.77
LogP ≤ 5	33.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate (CID 159624797) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate is C=CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCn1c(-c2ccc(N/C(C)=C/C#N)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The InChIKey is MOIRNTOQXPFLJA-LDNNHINWSA-N. The full InChI is InChI=1S/C27H22N4O3S.2C22H20F3N3O2.C22H18F3N3O2.C22H20N4O.C22H19N3O3S2/c1-3-31-24-16-21(34-2)13-14-22(24)23(17-28)27(31)19-9-11-20(12-10-19)30-35(32,33)25-8-4-6-18-7-5-15-29-26(18)25;1-4-28-19-11-15(22(23,24)25)7-10-17(19)18(12-26)20(28)14-5-8-16(9-6-14)27-21(29)30-13(2)3;2*1-3-11-30-21(29)27-16-8-5-14(6-9-16)20-18(13-26)17-10-7-15(22(23,24)25)12-19(17)28(20)4-2;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23;1-3-25-20-13-17(28-2)10-11-18(20)19(14-23)22(25)15-6-8-16(9-7-15)24-30(26,27)21-5-4-12-29-21/h4-16,30H,3H2,1-2H3;5-11,13H,4H2,1-3H3,(H,27,29);5-10,12H,3-4,11H2,1-2H3,(H,27,29);3,5-10,12H,1,4,11H2,2H3,(H,27,29);5-11,13,25H,4H2,1-3H3;4-13,24H,3H2,1-2H3/b;;;;15-11+;.

What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate has a molecular weight of 2520.77 g/mol, XLogP of 33.98, 31 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]quinoline-8-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159624797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).