tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate

C163H181N25O18S3 — CID 159782794

About tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate

tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate (PubChem CID 159782794) has the molecular formula C163H181N25O18S3 and a molecular weight of 2874.60 g/mol. Its IUPAC name is tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 159782794
• Molecular Formula: C163H181N25O18S3
• Molecular Weight: 2874.60 g/mol
• Exact Mass: 2872.32
• IUPAC Name: tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate
• SMILES: CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CCC4(C)CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)(C)C)cc1)n2CC.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)(C)C)cc1)n2CC1CC1
• InChI: InChI=1S/C32H35N5O3.C28H33N3O3S.C27H29N5O3S.C26H28N6O3S.C26H29N3O3.C24H27N3O3/c1-22(23-7-8-23)40-32(38)35-25-11-9-24(10-12-25)31-29(20-33)28-14-13-27(19-30(28)37(31)26-5-4-6-26)39-18-3-2-16-36-17-15-34-21-36;1-3-34-23-12-13-24-25(19-29)27(31(26(24)18-23)22-6-4-7-22)20-8-10-21(11-9-20)30-35(32,33)17-16-28(2)14-5-15-28;1-2-16-36(33,34)30-21-8-6-20(7-9-21)27-25(18-28)24-11-10-23(35-15-14-31-13-12-29-19-31)17-26(24)32(27)22-4-3-5-22;1-2-14-36(33,34)30-20-8-6-19(7-9-20)26-24(16-27)23-11-10-22(35-13-12-31-18-28-17-29-31)15-25(23)32(26)21-4-3-5-21;1-5-31-20-12-13-23-21(14-20)22(15-27)24(29(23)16-17-6-7-17)18-8-10-19(11-9-18)28-25(30)32-26(2,3)4;1-6-27-21-13-12-18(29-7-2)14-19(21)20(15-25)22(27)16-8-10-17(11-9-16)26-23(28)30-24(3,4)5/h9-15,17,19,21-23,26H,2-8,16,18H2,1H3,(H,35,38);8-13,18,22,30H,3-7,14-17H2,1-2H3;6-13,17,19,22,30H,2-5,14-16H2,1H3;6-11,15,17-18,21,30H,2-5,12-14H2,1H3;8-14,17H,5-7,16H2,1-4H3,(H,28,30);8-14H,6-7H2,1-5H3,(H,26,28)
• InChIKey: NHONEIDDZNERFB-UHFFFAOYSA-N
• XLogP: 36.27
• TPSA: 547.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 51
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2874.60
LogP ≤ 5	36.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate (CID 159782794) is tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCCn4ccnc4)cc3n2C2CCC2)cc1)C1CC1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4ccnc4)cc3n2C2CCC2)cc1.CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NS(=O)(=O)CCC4(C)CCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)(C)C)cc1)n2CC.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)(C)C)cc1)n2CC1CC1.

What is the InChIKey of tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is NHONEIDDZNERFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3.C28H33N3O3S.C27H29N5O3S.C26H28N6O3S.C26H29N3O3.C24H27N3O3/c1-22(23-7-8-23)40-32(38)35-25-11-9-24(10-12-25)31-29(20-33)28-14-13-27(19-30(28)37(31)26-5-4-6-26)39-18-3-2-16-36-17-15-34-21-36;1-3-34-23-12-13-24-25(19-29)27(31(26(24)18-23)22-6-4-7-22)20-8-10-21(11-9-20)30-35(32,33)17-16-28(2)14-5-15-28;1-2-16-36(33,34)30-21-8-6-20(7-9-21)27-25(18-28)24-11-10-23(35-15-14-31-13-12-29-19-31)17-26(24)32(27)22-4-3-5-22;1-2-14-36(33,34)30-20-8-6-19(7-9-20)26-24(16-27)23-11-10-22(35-13-12-31-18-28-17-29-31)15-25(23)32(26)21-4-3-5-21;1-5-31-20-12-13-23-21(14-20)22(15-27)24(29(23)16-17-6-7-17)18-8-10-19(11-9-18)28-25(30)32-26(2,3)4;1-6-27-21-13-12-18(29-7-2)14-19(21)20(15-25)22(27)16-8-10-17(11-9-16)26-23(28)30-24(3,4)5/h9-15,17,19,21-23,26H,2-8,16,18H2,1H3,(H,35,38);8-13,18,22,30H,3-7,14-17H2,1-2H3;6-13,17,19,22,30H,2-5,14-16H2,1H3;6-11,15,17-18,21,30H,2-5,12-14H2,1H3;8-14,17H,5-7,16H2,1-4H3,(H,28,30);8-14H,6-7H2,1-5H3,(H,26,28).

What are the key properties of tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate?

tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 2874.60 g/mol, XLogP of 36.27, 51 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[3-cyano-1-(cyclopropylmethyl)-5-ethoxyindol-2-yl]phenyl]carbamate;tert-butyl N-[4-(3-cyano-5-ethoxy-1-ethylindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-2-(1-methylcyclobutyl)ethanesulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-cyclobutyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-cyclopropylethyl N-[4-[3-cyano-1-cyclobutyl-6-(4-imidazol-1-ylbutoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 159782794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).