N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate

C115H109ClF3N19O15S4 — CID 158516870

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate (PubChem CID 158516870) has the molecular formula C115H109ClF3N19O15S4 and a molecular weight of 2217.97 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl 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]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 158516870
• Molecular Formula: C115H109ClF3N19O15S4
• Molecular Weight: 2217.97 g/mol
• Exact Mass: 2215.69
• IUPAC Name: N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cn(C)cn3)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C27H27N5O4S.C23H24ClN3O3.C22H21N5O3S.C22H19N3O3S2.C21H18F3N3O2/c1-3-32-25-16-21(35-2)8-10-23(25)24(17-28)27(32)19-4-6-20(7-5-19)30-37(33,34)22-9-11-26(29-18-22)31-12-14-36-15-13-31;1-3-27-21-14-18(30-12-6-11-24)9-10-19(21)20(15-25)22(27)16-7-5-8-17(13-16)26-23(28)29-4-2;1-4-27-20-11-17(30-3)9-10-18(20)19(12-23)22(27)15-5-7-16(8-6-15)25-31(28,29)21-13-26(2)14-24-21;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;1-3-27-18-11-14(21(22,23)24)7-10-16(18)17(12-25)19(27)13-5-8-15(9-6-13)26-20(28)29-4-2/h4-11,16,18,30H,3,12-15H2,1-2H3;5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13-14,25H,4H2,1-3H3;4-13,24H,3H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28)
• InChIKey: HLSSNKBNQWSAMO-UHFFFAOYSA-N
• XLogP: 24.62
• TPSA: 438.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.97
LogP ≤ 5	24.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl 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]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate (CID 158516870) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl 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]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl 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]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)c1.CCn1c(-c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3cn(C)cn3)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The InChIKey is HLSSNKBNQWSAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4S.C23H24ClN3O3.C22H21N5O3S.C22H19N3O3S2.C21H18F3N3O2/c1-3-32-25-16-21(35-2)8-10-23(25)24(17-28)27(32)19-4-6-20(7-5-19)30-37(33,34)22-9-11-26(29-18-22)31-12-14-36-15-13-31;1-3-27-21-14-18(30-12-6-11-24)9-10-19(21)20(15-25)22(27)16-7-5-8-17(13-16)26-23(28)29-4-2;1-4-27-20-11-17(30-3)9-10-18(20)19(12-23)22(27)15-5-7-16(8-6-15)25-31(28,29)21-13-26(2)14-24-21;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;1-3-27-18-11-14(21(22,23)24)7-10-16(18)17(12-25)19(27)13-5-8-15(9-6-13)26-20(28)29-4-2/h4-11,16,18,30H,3,12-15H2,1-2H3;5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13-14,25H,4H2,1-3H3;4-13,24H,3H2,1-2H3;5-11H,3-4H2,1-2H3,(H,26,28).

What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate has a molecular weight of 2217.97 g/mol, XLogP of 24.62, 31 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiophene-2-sulfonamide;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158516870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).