2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile

C137H120Cl2N20O8S — CID 158300238

About 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile

2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile (PubChem CID 158300238) has the molecular formula C137H120Cl2N20O8S and a molecular weight of 2277.57 g/mol. Its IUPAC name is 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile
• PubChem CID: 158300238
• Molecular Formula: C137H120Cl2N20O8S
• Molecular Weight: 2277.57 g/mol
• Exact Mass: 2274.87
• IUPAC Name: 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile
• SMILES: CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCn1c(-c2cc3ccccc3[nH]2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3occc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21
• InChI: InChI=1S/2C21H19N3O.C20H17N3O.C20H19N3O.C20H16N2O2.C18H16ClN3O2S.C17H14ClN3/c1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-23-19-11-14(24-2)8-9-15(19)16(12-21)20(23)18-10-13-6-4-5-7-17(13)22-18;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11/h5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);4-11,22H,3H2,1-2H3;5-12H,3-4H2,1-2H3,(H,22,24);4-11H,3H2,1-2H3;4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3
• InChIKey: GMKJLQTWEWDIHV-UHFFFAOYSA-N
• XLogP: 30.58
• TPSA: 392.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2277.57
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile?

The IUPAC name of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile (CID 158300238) is 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile.

What is the SMILES notation for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile?

The canonical SMILES for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile is CCNC(=O)c1ccc(-c2c(C#N)c3ccccc3n2CC)cc1.CCn1c(-c2cc3ccccc3[nH]2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(C(=O)NC3CC3)cc2)c(C#N)c2ccccc21.CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2ccc3c(ccn3C)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3occc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(N)c2)c(C#N)c2cc(Cl)ccc21.

What is the InChIKey of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile?

The InChIKey is GMKJLQTWEWDIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19N3O.C20H17N3O.C20H19N3O.C20H16N2O2.C18H16ClN3O2S.C17H14ClN3/c1-4-24-20-12-16(25-3)6-7-17(20)18(13-22)21(24)15-5-8-19-14(11-15)9-10-23(19)2;1-2-24-19-6-4-3-5-17(19)18(13-22)20(24)14-7-9-15(10-8-14)21(25)23-16-11-12-16;1-3-23-19-11-14(24-2)8-9-15(19)16(12-21)20(23)18-10-13-6-4-5-7-17(13)22-18;1-3-22-20(24)15-11-9-14(10-12-15)19-17(13-21)16-7-5-6-8-18(16)23(19)4-2;1-3-22-18-11-15(23-2)5-6-16(18)17(12-21)20(22)14-4-7-19-13(10-14)8-9-24-19;1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2;1-2-21-16-7-6-12(18)9-14(16)15(10-19)17(21)11-4-3-5-13(20)8-11/h5-12H,4H2,1-3H3;3-10,16H,2,11-12H2,1H3,(H,23,25);4-11,22H,3H2,1-2H3;5-12H,3-4H2,1-2H3,(H,22,24);4-11H,3H2,1-2H3;4-10,21H,3H2,1-2H3;3-9H,2,20H2,1H3.

What are the key properties of 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile?

2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile has a molecular weight of 2277.57 g/mol, XLogP of 30.58, 23 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-cyclopropylbenzamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile is sourced from PubChem (CID 158300238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).