2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

C123H121N17O11S2 — CID 158146997

About 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (PubChem CID 158146997) has the molecular formula C123H121N17O11S2 and a molecular weight of 2077.56 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
• PubChem CID: 158146997
• Molecular Formula: C123H121N17O11S2
• Molecular Weight: 2077.56 g/mol
• Exact Mass: 2075.89
• IUPAC Name: 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
• SMILES: CCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(-c2ccc(C(C)C)cc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21
• InChI: InChI=1S/C23H21N3O2.C22H21N3O2.C22H23N3O.C21H21N3O.C20H21N3O3S.C15H14N2O2S/c1-4-23(27)25-17-9-6-16(7-10-17)8-13-21-20(15-24)19-12-11-18(28-3)14-22(19)26(21)5-2;1-3-25-20-12-17(27-2)10-11-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-5-25-19-12-15(21(24)26)8-11-17(19)18(13-23)20(25)14-6-9-16(10-7-14)22(2,3)4;1-4-24-19-11-16(21(23)25)9-10-17(19)18(12-22)20(24)15-7-5-14(6-8-15)13(2)3;1-4-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(24,25)5-2;1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2/h6-7,9-12,14H,4-5H2,1-3H3,(H,25,27);6-12,15H,3-5H2,1-2H3,(H,24,26);6-12H,5H2,1-4H3,(H2,24,26);5-11,13H,4H2,1-3H3,(H2,23,25);6-12,22H,4-5H2,1-3H3;4-9H,3H2,1-2H3
• InChIKey: FUQHLQWKSKNHSB-UHFFFAOYSA-N
• XLogP: 25.41
• TPSA: 405.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2077.56
LogP ≤ 5	25.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

The IUPAC name of 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (CID 158146997) is 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate.

What is the SMILES notation for 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

The canonical SMILES for 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is CCC(=O)Nc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(-c2ccc(C(C)(C)C)cc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(-c2ccc(C(C)C)cc2)c(C#N)c2ccc(C(N)=O)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21.

What is the InChIKey of 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

The InChIKey is FUQHLQWKSKNHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.C22H21N3O2.C22H23N3O.C21H21N3O.C20H21N3O3S.C15H14N2O2S/c1-4-23(27)25-17-9-6-16(7-10-17)8-13-21-20(15-24)19-12-11-18(28-3)14-22(19)26(21)5-2;1-3-25-20-12-17(27-2)10-11-18(20)19(13-23)21(25)14-6-8-16(9-7-14)24-22(26)15-4-5-15;1-5-25-19-12-15(21(24)26)8-11-17(19)18(13-23)20(25)14-6-9-16(10-7-14)22(2,3)4;1-4-24-19-11-16(21(23)25)9-10-17(19)18(12-22)20(24)15-7-5-14(6-8-15)13(2)3;1-4-23-19-12-16(26-3)10-11-17(19)18(13-21)20(23)14-6-8-15(9-7-14)22-27(24,25)5-2;1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2/h6-7,9-12,14H,4-5H2,1-3H3,(H,25,27);6-12,15H,3-5H2,1-2H3,(H,24,26);6-12H,5H2,1-4H3,(H2,24,26);5-11,13H,4H2,1-3H3,(H2,23,25);6-12,22H,4-5H2,1-3H3;4-9H,3H2,1-2H3.

What are the key properties of 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate has a molecular weight of 2077.56 g/mol, XLogP of 25.41, 25 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]propanamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]ethanesulfonamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is sourced from PubChem (CID 158146997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).