2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

C132H127N17O13S — CID 158710961

About 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate

2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (PubChem CID 158710961) has the molecular formula C132H127N17O13S and a molecular weight of 2191.64 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;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-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
• PubChem CID: 158710961
• Molecular Formula: C132H127N17O13S
• Molecular Weight: 2191.64 g/mol
• Exact Mass: 2189.95
• IUPAC Name: 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate
• SMILES: CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)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.CCn1cc(-c2ncco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21.COc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1
• InChI: InChI=1S/C22H21N3O2.C22H23N3O.C21H21N3O.C19H18N2O2.C18H16N2O2.C15H14N2O3.C15H14N2O2S/c1-3-25-20-12-17(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;1-4-23-14-7-5-13(6-8-14)19-17(12-20)16-10-9-15(22-3)11-18(16)21(19)2;1-20-17-10-14(22-3)8-9-15(17)16(11-19)18(20)12-4-6-13(21-2)7-5-12;2*1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2/h6-12,15H,3-5H2,1-2H3,(H,24,26);6-12H,5H2,1-4H3,(H2,24,26);5-11,13H,4H2,1-3H3,(H2,23,25);5-11H,4H2,1-3H3;4-10H,1-3H3;2*4-9H,3H2,1-2H3
• InChIKey: IISCMUHNKORIBC-UHFFFAOYSA-N
• XLogP: 28.11
• TPSA: 406.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.64
LogP ≤ 5	28.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;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-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate (CID 158710961) is 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;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-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;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-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is CCOc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)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.CCn1cc(-c2ncco2)c2ccc(C(=O)OC)cc21.CCn1cc(-c2nccs2)c2ccc(C(=O)OC)cc21.COc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C)cc1.

What is the InChIKey of 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate?

The InChIKey is IISCMUHNKORIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C22H23N3O.C21H21N3O.C19H18N2O2.C18H16N2O2.C15H14N2O3.C15H14N2O2S/c1-3-25-20-12-17(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;1-4-23-14-7-5-13(6-8-14)19-17(12-20)16-10-9-15(22-3)11-18(16)21(19)2;1-20-17-10-14(22-3)8-9-15(17)16(11-19)18(20)12-4-6-13(21-2)7-5-12;2*1-3-17-9-12(14-16-6-7-20-14)11-5-4-10(8-13(11)17)15(18)19-2/h6-12,15H,3-5H2,1-2H3,(H,24,26);6-12H,5H2,1-4H3,(H2,24,26);5-11,13H,4H2,1-3H3,(H2,23,25);5-11H,4H2,1-3H3;4-10H,1-3H3;2*4-9H,3H2,1-2H3.

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

2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate has a molecular weight of 2191.64 g/mol, XLogP of 28.11, 25 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-3-cyano-1-ethylindole-6-carboxamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]cyclopropanecarboxamide;3-cyano-1-ethyl-2-(4-propan-2-ylphenyl)indole-6-carboxamide;2-(4-ethoxyphenyl)-6-methoxy-1-methylindole-3-carbonitrile;6-methoxy-2-(4-methoxyphenyl)-1-methylindole-3-carbonitrile;methyl 1-ethyl-3-(1,3-oxazol-2-yl)indole-6-carboxylate;methyl 1-ethyl-3-(1,3-thiazol-2-yl)indole-6-carboxylate is sourced from PubChem (CID 158710961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).