N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile

C133H127ClN18O13S — CID 159458221

About N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile (PubChem CID 159458221) has the molecular formula C133H127ClN18O13S and a molecular weight of 2253.11 g/mol. Its IUPAC name is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile
• PubChem CID: 159458221
• Molecular Formula: C133H127ClN18O13S
• Molecular Weight: 2253.11 g/mol
• Exact Mass: 2250.92
• IUPAC Name: N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile
• SMILES: 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)NCCc3ccccc3)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)c3cn(C)cn3)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C33H28N2O3.C28H28N4O2.C27H26N4O2.C23H24ClN3O3.C22H21N5O3S/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;1-3-31-25-17-22(33-2)13-14-23(25)24(18-28)26(31)20-9-11-21(12-10-20)30-27(32)29-16-15-19-7-5-4-6-8-19;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/h4-18,21H,3,19-20H2,1-2H3;6-16,18H,5H2,1-4H3,(H2,30,31,33);4-14,17H,3,15-16H2,1-2H3,(H2,29,30,32);5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13-14,25H,4H2,1-3H3
• InChIKey: LUGFTARVRIWFGA-UHFFFAOYSA-N
• XLogP: 29.42
• TPSA: 400.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.11
LogP ≤ 5	29.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile (CID 159458221) is N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile is 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)NCCc3ccccc3)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)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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile?

The InChIKey is LUGFTARVRIWFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O3.C28H28N4O2.C27H26N4O2.C23H24ClN3O3.C22H21N5O3S/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;1-3-31-25-17-22(33-2)13-14-23(25)24(18-28)26(31)20-9-11-21(12-10-20)30-27(32)29-16-15-19-7-5-4-6-8-19;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/h4-18,21H,3,19-20H2,1-2H3;6-16,18H,5H2,1-4H3,(H2,30,31,33);4-14,17H,3,15-16H2,1-2H3,(H2,29,30,32);5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13-14,25H,4H2,1-3H3.

What are the key properties of N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-1-methylimidazole-4-sulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile has a molecular weight of 2253.11 g/mol, XLogP of 29.42, 36 rotatable bonds, 6 hydrogen bond donors, and 25 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;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(2-phenylethyl)urea;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;1-ethyl-6-methoxy-2-[4-[2-oxo-3-(4-phenoxyphenyl)propyl]phenyl]indole-3-carbonitrile is sourced from PubChem (CID 159458221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).