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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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

C129H143ClF2IN19O20S3 — CID 158806639

IUPACN-[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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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
SMILESCCCS(=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(=O)(=O)CC)cc2)cc2ccc(OC(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN(C)C)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21
InChIInChI=1S/C27H32N4O4.C27H31N3O4.C22H24ClN3O3S.C22H26N4O3S.C19H20F2N2O3S.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;1-3-13-30(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;1-3-23-17(11-14-7-10-16(12-18(14)23)26-19(20)21)13-5-8-15(9-6-13)22-27(24,25)4-2;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;5-10,14,25H,3-4,11-13H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;5-12,19,22H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyXYSIISDHPCCTKB-UHFFFAOYSA-N
MW2576.23 g/mol
LogP25.11
Rot. Bonds45

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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 158806639) has the molecular formula C129H143ClF2IN19O20S3 and a molecular weight of 2576.23 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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 NameN-[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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 CID158806639
Molecular FormulaC129H143ClF2IN19O20S3
Molecular Weight2576.23 g/mol
Exact Mass2573.86
IUPAC NameN-[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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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
SMILESCCCS(=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(=O)(=O)CC)cc2)cc2ccc(OC(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN(C)C)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21
InChIInChI=1S/C27H32N4O4.C27H31N3O4.C22H24ClN3O3S.C22H26N4O3S.C19H20F2N2O3S.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;1-3-13-30(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;1-3-23-17(11-14-7-10-16(12-18(14)23)26-19(20)21)13-5-8-15(9-6-13)22-27(24,25)4-2;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;5-10,14,25H,3-4,11-13H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;5-12,19,22H,3-4H2,1-2H3;4-5H,3H2,1-2H3
InChIKeyXYSIISDHPCCTKB-UHFFFAOYSA-N
XLogP25.11
TPSA478.37 Ų
H-Bond Donors4
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002576.23
LogP ≤ 525.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 with MolForge

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Related Compounds

CID 157122481
CID 157122481
CID 157156388
CID 157156388
CID 157269989
CID 157269989
CID 157314126
CID 157314126
CID 157391745
CID 157391745
CID 157677201
CID 157677201
CID 157999393
CID 157999393
CID 158016258
CID 158016258
CID 158279176
CID 158279176
CID 158295612
CID 158295612
CID 158500518
CID 158500518
CID 158592683
CID 158592683

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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 158806639) 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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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(=O)(=O)CC)cc2)cc2ccc(OC(F)F)cc21.CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCCN(C)C)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;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 XYSIISDHPCCTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C27H31N3O4.C22H24ClN3O3S.C22H26N4O3S.C19H20F2N2O3S.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;1-3-13-30(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;1-3-23-17(11-14-7-10-16(12-18(14)23)26-19(20)21)13-5-8-15(9-6-13)22-27(24,25)4-2;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;5-10,14,25H,3-4,11-13H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;5-12,19,22H,3-4H2,1-2H3;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;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 2576.23 g/mol, XLogP of 25.11, 45 rotatable bonds, 4 hydrogen bond donors, and 34 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-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;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 158806639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).