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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile

C154H146ClF3N22O17S2 — CID 160524637

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile (PubChem CID 160524637) has the molecular formula C154H146ClF3N22O17S2 and a molecular weight of 2733.58 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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile.

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile
• PubChem CID: 160524637
• Molecular Formula: C154H146ClF3N22O17S2
• Molecular Weight: 2733.58 g/mol
• Exact Mass: 2731.03
• 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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile
• 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(CC(=O)Cc3ccc(Oc4ccccc4)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)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/C33H28N2O3.C28H28N4O2.C27H27N5O4S.C23H24ClN3O3.C22H21N5O3S.C21H18F3N3O2/c1-3-35-32-21-29(37-2)17-18-30(32)31(22-34)33(35)25-13-9-23(10-14-25)19-26(36)20-24-11-15-28(16-12-24)38-27-7-5-4-6-8-27;1-5-32-26-16-23(34-4)14-15-24(26)25(17-29)27(32)20-8-12-22(13-9-20)31-28(33)30-21-10-6-19(7-11-21)18(2)3;1-3-32-25-16-21(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;1-3-27-18-11-14(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/h4-18,21H,3,19-20H2,1-2H3;6-16,18H,5H2,1-4H3,(H2,30,31,33);4-11,16,18,30H,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;5-11H,3-4H2,1-2H3,(H,26,28)
• InChIKey: QUSQHEZIECTPIN-UHFFFAOYSA-N
• XLogP: 33.88
• TPSA: 498.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2733.58
LogP ≤ 5	33.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile?

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile (CID 160524637) 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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile.

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile?

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile 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(CC(=O)Cc3ccc(Oc4ccccc4)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)Nc3ccc(C(C)C)cc3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)c3ccc(N4CCOCC4)nc3)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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile?

The InChIKey is QUSQHEZIECTPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O3.C28H28N4O2.C27H27N5O4S.C23H24ClN3O3.C22H21N5O3S.C21H18F3N3O2/c1-3-35-32-21-29(37-2)17-18-30(32)31(22-34)33(35)25-13-9-23(10-14-25)19-26(36)20-24-11-15-28(16-12-24)38-27-7-5-4-6-8-27;1-5-32-26-16-23(34-4)14-15-24(26)25(17-29)27(32)20-8-12-22(13-9-20)31-28(33)30-21-10-6-19(7-11-21)18(2)3;1-3-32-25-16-21(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;1-3-27-18-11-14(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/h4-18,21H,3,19-20H2,1-2H3;6-16,18H,5H2,1-4H3,(H2,30,31,33);4-11,16,18,30H,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;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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile?

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile has a molecular weight of 2733.58 g/mol, XLogP of 33.88, 40 rotatable bonds, 6 hydrogen bond donors, and 33 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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 160524637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).