N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate

C143H152ClN23O20S2 — CID 158302557

About N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate

N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate (PubChem CID 158302557) has the molecular formula C143H152ClN23O20S2 and a molecular weight of 2612.52 g/mol. Its IUPAC name is N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate.

Molecular Properties

• Compound Name: N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate
• PubChem CID: 158302557
• Molecular Formula: C143H152ClN23O20S2
• Molecular Weight: 2612.52 g/mol
• Exact Mass: 2610.07
• IUPAC Name: N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Cc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Cc1cccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2[nH]c3cc(OC)ccc3c2C#N)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21
• InChI: InChI=1S/C27H32N4O4.C27H31N3O4.C25H25N5O3.C23H23N5O3S.C22H24ClN3O3S.C19H17N3O3/c1-3-31-25-18-22(35-14-6-11-30-12-15-33-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)34-4-2;1-3-30-25-18-22(34-15-12-29-10-13-32-14-11-29)8-9-23(25)24(19-28)27(30)21-7-5-6-20(16-21)17-26(31)33-4-2;1-3-30-23-14-20(33-11-10-29-17-27-16-28-29)8-9-21(23)22(15-26)25(30)19-7-5-6-18(12-19)13-24(31)32-4-2;1-3-28-22-14-19(31-13-12-27-11-10-25-16-27)8-9-20(22)21(15-24)23(28)17-4-6-18(7-5-17)26-32(2,29)30;1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-25-19(23)21-13-6-4-5-12(9-13)18-16(11-20)15-8-7-14(24-2)10-17(15)22-18/h5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);5-9,16,18H,3-4,10-15,17H2,1-2H3;5-9,12,14,16-17H,3-4,10-11,13H2,1-2H3;4-11,14,16,26H,3,12-13H2,1-2H3;5-10,14,25H,3-4,11-13H2,1-2H3;4-10,22H,3H2,1-2H3,(H,21,23)
• InChIKey: GMRBYCNVNVHICL-UHFFFAOYSA-N
• XLogP: 25.96
• TPSA: 533.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.52
LogP ≤ 5	25.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate?

The IUPAC name of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate (CID 158302557) is N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate.

What is the SMILES notation for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate?

The canonical SMILES for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Cc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Cc1cccc(-c2c(C#N)c3ccc(OCCn4cncn4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2[nH]c3cc(OC)ccc3c2C#N)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21.

What is the InChIKey of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate?

The InChIKey is GMRBYCNVNVHICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C27H31N3O4.C25H25N5O3.C23H23N5O3S.C22H24ClN3O3S.C19H17N3O3/c1-3-31-25-18-22(35-14-6-11-30-12-15-33-16-13-30)9-10-23(25)24(19-28)26(31)20-7-5-8-21(17-20)29-27(32)34-4-2;1-3-30-25-18-22(34-15-12-29-10-13-32-14-11-29)8-9-23(25)24(19-28)27(30)21-7-5-6-20(16-21)17-26(31)33-4-2;1-3-30-23-14-20(33-11-10-29-17-27-16-28-29)8-9-21(23)22(15-26)25(30)19-7-5-6-18(12-19)13-24(31)32-4-2;1-3-28-22-14-19(31-13-12-27-11-10-25-16-27)8-9-20(22)21(15-24)23(28)17-4-6-18(7-5-17)26-32(2,29)30;1-3-13-30(27,28)25-17-7-5-16(6-8-17)22-20(15-24)19-10-9-18(29-12-11-23)14-21(19)26(22)4-2;1-3-25-19(23)21-13-6-4-5-12(9-13)18-16(11-20)15-8-7-14(24-2)10-17(15)22-18/h5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);5-9,16,18H,3-4,10-15,17H2,1-2H3;5-9,12,14,16-17H,3-4,10-11,13H2,1-2H3;4-11,14,16,26H,3,12-13H2,1-2H3;5-10,14,25H,3-4,11-13H2,1-2H3;4-10,22H,3H2,1-2H3,(H,21,23).

What are the key properties of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate?

N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate has a molecular weight of 2612.52 g/mol, XLogP of 25.96, 48 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;ethyl 2-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]acetate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl 2-[3-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]acetate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).