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

C138H142ClN23O18S4 — CID 159042351

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

N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate (PubChem CID 159042351) has the molecular formula C138H142ClN23O18S4 and a molecular weight of 2574.52 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-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate.

Molecular Properties

• Compound Name: N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate
• PubChem CID: 159042351
• Molecular Formula: C138H142ClN23O18S4
• Molecular Weight: 2574.52 g/mol
• Exact Mass: 2571.95
• IUPAC Name: N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2[nH]c3cc(OC)ccc3c2C#N)c1.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN(C)C)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCn3cncn3)cc21.CCn1c(-c2cccc(CC(=O)OCc3ccc(C(C)C)cc3)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C30H30N2O3.C23H23N5O3S.C22H24ClN3O3S.C22H22N6O3S.C22H26N4O3S.C19H17N3O3/c1-5-32-28-17-25(34-4)13-14-26(28)27(18-31)30(32)24-8-6-7-22(15-24)16-29(33)35-19-21-9-11-23(12-10-21)20(2)3;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;1-3-28-21-12-18(31-11-10-27-15-24-14-25-27)8-9-19(21)20(13-23)22(28)16-4-6-17(7-5-16)26-32(2,29)30;1-5-26-21-14-18(29-13-12-25(2)3)10-11-19(21)20(15-23)22(26)16-6-8-17(9-7-16)24-30(4,27)28;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/h6-15,17,20H,5,16,19H2,1-4H3;4-11,14,16,26H,3,12-13H2,1-2H3;5-10,14,25H,3-4,11-13H2,1-2H3;4-9,12,14-15,26H,3,10-11H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;4-10,22H,3H2,1-2H3,(H,21,23)
• InChIKey: JWFLZFULKHDBDW-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 539.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2574.52
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'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-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate?

The IUPAC name of N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate (CID 159042351) is N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate.

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-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate?

The canonical SMILES for N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2[nH]c3cc(OC)ccc3c2C#N)c1.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN(C)C)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCn3cncn3)cc21.CCn1c(-c2cccc(CC(=O)OCc3ccc(C(C)C)cc3)c2)c(C#N)c2ccc(OC)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-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate?

The InChIKey is JWFLZFULKHDBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3.C23H23N5O3S.C22H24ClN3O3S.C22H22N6O3S.C22H26N4O3S.C19H17N3O3/c1-5-32-28-17-25(34-4)13-14-26(28)27(18-31)30(32)24-8-6-7-22(15-24)16-29(33)35-19-21-9-11-23(12-10-21)20(2)3;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;1-3-28-21-12-18(31-11-10-27-15-24-14-25-27)8-9-19(21)20(13-23)22(28)16-4-6-17(7-5-16)26-32(2,29)30;1-5-26-21-14-18(29-13-12-25(2)3)10-11-19(21)20(15-23)22(26)16-6-8-17(9-7-16)24-30(4,27)28;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/h6-15,17,20H,5,16,19H2,1-4H3;4-11,14,16,26H,3,12-13H2,1-2H3;5-10,14,25H,3-4,11-13H2,1-2H3;4-9,12,14-15,26H,3,10-11H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;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-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate?

N-[4-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate has a molecular weight of 2574.52 g/mol, XLogP of 26.47, 45 rotatable bonds, 6 hydrogen bond donors, and 35 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-6-[2-(dimethylamino)ethoxy]-1-ethylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl 2-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]acetate is sourced from PubChem (CID 159042351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).