2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea

C134H138ClN19O16S4 — CID 157494798

About 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea

2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea (PubChem CID 157494798) has the molecular formula C134H138ClN19O16S4 and a molecular weight of 2434.42 g/mol. Its IUPAC name is 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea.

Molecular Properties

• Compound Name: 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea
• PubChem CID: 157494798
• Molecular Formula: C134H138ClN19O16S4
• Molecular Weight: 2434.42 g/mol
• Exact Mass: 2431.91
• IUPAC Name: 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea
• SMILES: CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)CC)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(C)(=O)=O)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CC3)cc2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C28H28N4O2.C22H24ClN3O3S.C22H23N3O3S.C21H23N3O3S.C21H19N3O2.C20H21N3O3S/c1-3-17-32-26-18-23(34-2)13-14-24(26)25(19-29)27(32)21-9-11-22(12-10-21)31-28(33)30-16-15-20-7-5-4-6-8-20;1-3-12-26-21-14-18(29-2)9-10-19(21)20(15-24)22(26)16-5-7-17(8-6-16)25-30(27,28)13-4-11-23;1-3-12-25-21-13-17(28-2)8-11-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-4-24-20-13-16(23-28(25,26)6-3)9-12-18(20)19(14-22)21(24)15-7-10-17(11-8-15)27-5-2;1-3-24-19-12-16(26-2)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)21(25)23-10-11-23;1-4-23-19-12-15(22-27(3,24)25)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)26-5-2/h4-14,18H,3,15-17H2,1-2H3,(H2,30,31,33);5-10,14,25H,3-4,11-13H2,1-2H3;4-8,11,13,18,24H,3,9-10,12H2,1-2H3;7-13,23H,4-6H2,1-3H3;4-9,12H,3,10-11H2,1-2H3;6-12,22H,4-5H2,1-3H3
• InChIKey: BXRWLLWGPRZVOI-UHFFFAOYSA-N
• XLogP: 27.43
• TPSA: 473.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 41
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2434.42
LogP ≤ 5	27.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea?

The IUPAC name of 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea (CID 157494798) is 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea.

What is the SMILES notation for 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea?

The canonical SMILES for 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea is CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCCCl)cc2)c(C#N)c2ccc(OC)cc21.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)CC)cc3n2CC)cc1.CCOc1ccc(-c2c(C#N)c3ccc(NS(C)(=O)=O)cc3n2CC)cc1.CCn1c(-c2ccc(C(=O)N3CC3)cc2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea?

The InChIKey is BXRWLLWGPRZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.C22H24ClN3O3S.C22H23N3O3S.C21H23N3O3S.C21H19N3O2.C20H21N3O3S/c1-3-17-32-26-18-23(34-2)13-14-24(26)25(19-29)27(32)21-9-11-22(12-10-21)31-28(33)30-16-15-20-7-5-4-6-8-20;1-3-12-26-21-14-18(29-2)9-10-19(21)20(15-24)22(26)16-5-7-17(8-6-16)25-30(27,28)13-4-11-23;1-3-12-25-21-13-17(28-2)8-11-19(21)20(14-23)22(25)15-4-6-16(7-5-15)24-29(26,27)18-9-10-18;1-4-24-20-13-16(23-28(25,26)6-3)9-12-18(20)19(14-22)21(24)15-7-10-17(11-8-15)27-5-2;1-3-24-19-12-16(26-2)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)21(25)23-10-11-23;1-4-23-19-12-15(22-27(3,24)25)8-11-17(19)18(13-21)20(23)14-6-9-16(10-7-14)26-5-2/h4-14,18H,3,15-17H2,1-2H3,(H2,30,31,33);5-10,14,25H,3-4,11-13H2,1-2H3;4-8,11,13,18,24H,3,9-10,12H2,1-2H3;7-13,23H,4-6H2,1-3H3;4-9,12H,3,10-11H2,1-2H3;6-12,22H,4-5H2,1-3H3.

What are the key properties of 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea?

2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea has a molecular weight of 2434.42 g/mol, XLogP of 27.43, 41 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;3-chloro-N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;1-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 157494798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).