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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate

C117H126ClN19O17S2 — CID 158304052

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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate (PubChem CID 158304052) has the molecular formula C117H126ClN19O17S2 and a molecular weight of 2170.00 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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate
• PubChem CID: 158304052
• Molecular Formula: C117H126ClN19O17S2
• Molecular Weight: 2170.00 g/mol
• Exact Mass: 2167.87
• 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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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)Nc1cccc(-c2[nH]c3cc(OC)ccc3c2C#N)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)cc3n2CC)c1.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21
• InChI: InChI=1S/C27H32N4O4.C26H30N4O4.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;1-3-30-24-17-21(34-15-12-29-10-13-32-14-11-29)8-9-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-4-2;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);5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31);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: GMVYYQBXKHERPP-UHFFFAOYSA-N
• XLogP: 22.45
• TPSA: 450.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.00
LogP ≤ 5	22.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate (CID 158304052) 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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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)Nc1cccc(-c2[nH]c3cc(OC)ccc3c2C#N)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCN4CCOCC4)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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate?

The InChIKey is GMVYYQBXKHERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C26H30N4O4.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;1-3-30-24-17-21(34-15-12-29-10-13-32-14-11-29)8-9-22(24)23(18-27)25(30)19-6-5-7-20(16-19)28-26(31)33-4-2;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);5-9,16-17H,3-4,10-15H2,1-2H3,(H,28,31);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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate has a molecular weight of 2170.00 g/mol, XLogP of 22.45, 38 rotatable bonds, 6 hydrogen bond donors, and 30 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 N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158304052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).