1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate

C122H116ClN17O12S2 — CID 157253764

About 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate

1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate (PubChem CID 157253764) has the molecular formula C122H116ClN17O12S2 and a molecular weight of 2111.96 g/mol. Its IUPAC name is 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate
• PubChem CID: 157253764
• Molecular Formula: C122H116ClN17O12S2
• Molecular Weight: 2111.96 g/mol
• Exact Mass: 2109.81
• IUPAC Name: 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate
• SMILES: CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)c1.CCn1c(-c2ccc(N/C(C)=C/C#N)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(S(=O)(=O)NC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21
• InChI: InChI=1S/C28H28N4O2.C25H23N3O3S.C24H21N3O3S.C23H24ClN3O3.C22H20N4O/c1-5-32-26-16-23(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;1-4-28-24-13-10-19(18-6-5-7-20(14-18)31-3)15-22(24)23(16-26)25(28)17-8-11-21(12-9-17)32(29,30)27-2;1-3-27-23-12-9-18(17-5-4-6-19(13-17)30-2)14-21(23)22(15-25)24(27)16-7-10-20(11-8-16)31(26,28)29;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;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23/h6-16,18H,5H2,1-4H3,(H2,30,31,33);5-15,27H,4H2,1-3H3;4-14H,3H2,1-2H3,(H2,26,28,29);5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13,25H,4H2,1-3H3/b;;;;15-11+
• InChIKey: AWQHCNFZKPRSPT-PBRQDVSYSA-N
• XLogP: 27.11
• TPSA: 411.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2111.96
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate?

The IUPAC name of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate (CID 157253764) is 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate is CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCCl)cc3n2CC)c1.CCn1c(-c2ccc(N/C(C)=C/C#N)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(S(=O)(=O)NC)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(-c3cccc(OC)c3)ccc21.

What is the InChIKey of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate?

The InChIKey is AWQHCNFZKPRSPT-PBRQDVSYSA-N. The full InChI is InChI=1S/C28H28N4O2.C25H23N3O3S.C24H21N3O3S.C23H24ClN3O3.C22H20N4O/c1-5-32-26-16-23(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;1-4-28-24-13-10-19(18-6-5-7-20(14-18)31-3)15-22(24)23(16-26)25(28)17-8-11-21(12-9-17)32(29,30)27-2;1-3-27-23-12-9-18(17-5-4-6-19(13-17)30-2)14-21(23)22(15-25)24(27)16-7-10-20(11-8-16)31(26,28)29;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;1-4-26-21-13-18(27-3)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-15(2)11-12-23/h6-16,18H,5H2,1-4H3,(H2,30,31,33);5-15,27H,4H2,1-3H3;4-14H,3H2,1-2H3,(H2,26,28,29);5,7-10,13-14H,3-4,6,11-12H2,1-2H3,(H,26,28);5-11,13,25H,4H2,1-3H3/b;;;;15-11+.

What are the key properties of 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate?

1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate has a molecular weight of 2111.96 g/mol, XLogP of 27.11, 30 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157253764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).