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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile

C134H148ClIN20O20S2 — CID 158890052

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile (PubChem CID 158890052) has the molecular formula C134H148ClIN20O20S2 and a molecular weight of 2585.27 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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile.

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile
• PubChem CID: 158890052
• Molecular Formula: C134H148ClIN20O20S2
• Molecular Weight: 2585.27 g/mol
• Exact Mass: 2582.94
• 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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile
• SMILES: CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Cc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN(C)C)cc21.CCn1c(-c2cccc(NC(=O)OC3CCCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21
• InChI: InChI=1S/C27H32N4O4.C27H31N3O4.C24H25N3O3.C22H24ClN3O3S.C22H26N4O3S.C12H10IN3O3/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;1-3-27-22-14-19(29-2)11-12-20(22)21(15-25)23(27)16-7-6-8-17(13-16)26-24(28)30-18-9-4-5-10-18;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;1-5-26-21-14-18(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;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/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;6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,26,28);5-10,14,25H,3-4,11-13H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;4-5H,3H2,1-2H3
• InChIKey: XXZDXOCZWCTYPF-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 494.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 43
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.27
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile (CID 158890052) 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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile.

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Cc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN(C)C)cc21.CCn1c(-c2cccc(NC(=O)OC3CCCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?

The InChIKey is XXZDXOCZWCTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C27H31N3O4.C24H25N3O3.C22H24ClN3O3S.C22H26N4O3S.C12H10IN3O3/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;1-3-27-22-14-19(29-2)11-12-20(22)21(15-25)23(27)16-7-6-8-17(13-16)26-24(28)30-18-9-4-5-10-18;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;1-5-26-21-14-18(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;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/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;6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,26,28);5-10,14,25H,3-4,11-13H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;4-5H,3H2,1-2H3.

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile?

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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile has a molecular weight of 2585.27 g/mol, XLogP of 26.12, 43 rotatable bonds, 4 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;cyclopentyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;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;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile is sourced from PubChem (CID 158890052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).