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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

C263H269Cl2IN42O39S5 — CID 160816693

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-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)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(NC(=O)OC3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OCc3ccc(C(C)C)cc3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)O[C@@H]3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OC)ccc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21
InChIInChI=1S/C29H29N3O3.C24H25N3O4.C23H23N5O3S.2C23H23N3O4.C22H24ClN3O3S.C22H22ClN3O3.C22H22N6O3S.C22H26N4O3S.C21H21N3O3.C20H21N3O3S.C12H10IN3O3/c1-5-32-27-16-24(34-4)13-14-25(27)26(17-30)28(32)22-7-6-8-23(15-22)31-29(33)35-18-20-9-11-21(12-10-20)19(2)3;1-3-27-22-14-19(29-2)7-8-20(22)21(15-25)23(27)16-5-4-6-17(13-16)26-24(28)31-18-9-11-30-12-10-18;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;2*1-3-26-21-12-17(28-2)7-8-19(21)20(13-24)22(26)15-5-4-6-16(11-15)25-23(27)30-18-9-10-29-14-18;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;1-3-26-20-13-17(29-11-10-23)8-9-18(20)19(14-24)21(26)15-6-5-7-16(12-15)25-22(27)28-4-2;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;1-4-24-19-10-9-16(26-3)12-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-19-10-9-16(26-3)12-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h6-16,19H,5,18H2,1-4H3,(H,31,33);4-8,13-14,18H,3,9-12H2,1-2H3,(H,26,28);4-11,14,16,26H,3,12-13H2,1-2H3;2*4-8,11-12,18H,3,9-10,14H2,1-2H3,(H,25,27);5-10,14,25H,3-4,11-13H2,1-2H3;5-9,12-13H,3-4,10-11H2,1-2H3,(H,25,27);4-9,12,14-15,26H,3,10-11H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;6-12H,4-5H2,1-3H3,(H,23,25);6-12,22H,4-5H2,1-3H3;4-5H,3H2,1-2H3/t;;;18-;;;;;;;;/m...1......../s1
InChIKeyGYMQHIDATJGPJH-DSLDNIJHSA-N
MW5000.45 g/mol
LogP53.87
Rot. Bonds76

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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate

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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 160816693) has the molecular formula C263H269Cl2IN42O39S5 and a molecular weight of 5000.45 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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate.

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-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID160816693
Molecular FormulaC263H269Cl2IN42O39S5
Molecular Weight5000.45 g/mol
Exact Mass4995.74
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-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)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(NC(=O)OC3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OCc3ccc(C(C)C)cc3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)O[C@@H]3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OC)ccc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21
InChIInChI=1S/C29H29N3O3.C24H25N3O4.C23H23N5O3S.2C23H23N3O4.C22H24ClN3O3S.C22H22ClN3O3.C22H22N6O3S.C22H26N4O3S.C21H21N3O3.C20H21N3O3S.C12H10IN3O3/c1-5-32-27-16-24(34-4)13-14-25(27)26(17-30)28(32)22-7-6-8-23(15-22)31-29(33)35-18-20-9-11-21(12-10-20)19(2)3;1-3-27-22-14-19(29-2)7-8-20(22)21(15-25)23(27)16-5-4-6-17(13-16)26-24(28)31-18-9-11-30-12-10-18;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;2*1-3-26-21-12-17(28-2)7-8-19(21)20(13-24)22(26)15-5-4-6-16(11-15)25-23(27)30-18-9-10-29-14-18;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;1-3-26-20-13-17(29-11-10-23)8-9-18(20)19(14-24)21(26)15-6-5-7-16(12-15)25-22(27)28-4-2;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;1-4-24-19-10-9-16(26-3)12-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-19-10-9-16(26-3)12-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h6-16,19H,5,18H2,1-4H3,(H,31,33);4-8,13-14,18H,3,9-12H2,1-2H3,(H,26,28);4-11,14,16,26H,3,12-13H2,1-2H3;2*4-8,11-12,18H,3,9-10,14H2,1-2H3,(H,25,27);5-10,14,25H,3-4,11-13H2,1-2H3;5-9,12-13H,3-4,10-11H2,1-2H3,(H,25,27);4-9,12,14-15,26H,3,10-11H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;6-12H,4-5H2,1-3H3,(H,23,25);6-12,22H,4-5H2,1-3H3;4-5H,3H2,1-2H3/t;;;18-;;;;;;;;/m...1......../s1
InChIKeyGYMQHIDATJGPJH-DSLDNIJHSA-N
XLogP53.87
TPSA1038.83 Ų
H-Bond Donors11
H-Bond Acceptors69
Rotatable Bonds76
Heavy Atoms352
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005000.45
LogP ≤ 553.87
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1069

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-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate with MolForge

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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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-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-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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 160816693) 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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-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-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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-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-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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCOC(=O)Nc1cccc(-c2c(C#N)c3cc(OC)ccc3n2CC)c1.CCOC(=O)Nc1cccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)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(NC(=O)OC3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OC3CCOCC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)OCc3ccc(C(C)C)cc3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(=O)O[C@@H]3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OC)ccc21.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-[3-cyano-1-ethyl-6-(2-imidazol-1-ylethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is GYMQHIDATJGPJH-DSLDNIJHSA-N. The full InChI is InChI=1S/C29H29N3O3.C24H25N3O4.C23H23N5O3S.2C23H23N3O4.C22H24ClN3O3S.C22H22ClN3O3.C22H22N6O3S.C22H26N4O3S.C21H21N3O3.C20H21N3O3S.C12H10IN3O3/c1-5-32-27-16-24(34-4)13-14-25(27)26(17-30)28(32)22-7-6-8-23(15-22)31-29(33)35-18-20-9-11-21(12-10-20)19(2)3;1-3-27-22-14-19(29-2)7-8-20(22)21(15-25)23(27)16-5-4-6-17(13-16)26-24(28)31-18-9-11-30-12-10-18;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;2*1-3-26-21-12-17(28-2)7-8-19(21)20(13-24)22(26)15-5-4-6-16(11-15)25-23(27)30-18-9-10-29-14-18;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;1-3-26-20-13-17(29-11-10-23)8-9-18(20)19(14-24)21(26)15-6-5-7-16(12-15)25-22(27)28-4-2;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;1-4-24-19-10-9-16(26-3)12-17(19)18(13-22)20(24)14-7-6-8-15(11-14)23-21(25)27-5-2;1-4-23-19-10-9-16(26-3)12-17(19)18(13-21)20(23)14-7-6-8-15(11-14)22-27(24,25)5-2;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h6-16,19H,5,18H2,1-4H3,(H,31,33);4-8,13-14,18H,3,9-12H2,1-2H3,(H,26,28);4-11,14,16,26H,3,12-13H2,1-2H3;2*4-8,11-12,18H,3,9-10,14H2,1-2H3,(H,25,27);5-10,14,25H,3-4,11-13H2,1-2H3;5-9,12-13H,3-4,10-11H2,1-2H3,(H,25,27);4-9,12,14-15,26H,3,10-11H2,1-2H3;6-11,14,24H,5,12-13H2,1-4H3;6-12H,4-5H2,1-3H3,(H,23,25);6-12,22H,4-5H2,1-3H3;4-5H,3H2,1-2H3/t;;;18-;;;;;;;;/m...1......../s1.
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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate?
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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 5000.45 g/mol, XLogP of 53.87, 76 rotatable bonds, 11 hydrogen bond donors, and 69 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-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]indol-2-yl]phenyl]methanesulfonamide;ethyl N-[3-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate;1-ethyl-2-iodo-6-methoxy-5-nitroindole-3-carbonitrile;oxan-4-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;[(3R)-oxolan-3-yl] N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;(4-propan-2-ylphenyl)methyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 160816693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).