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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate

C269H279Cl2IN42O40S4 — CID 158023741

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-[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-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCN1c2cc(OC)ccc2C(C#N)C1c1cccc(CC(=O)OCc2ccc(C(C)C)cc2)c1.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(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)O[C@@H]3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21
InChIInChI=1S/C30H32N2O3.C27H32N4O4.C24H25N3O4.C23H23N5O3S.2C23H23N3O4.C22H24ClN3O3S.C22H22ClN3O3.C22H22N6O3S.C22H26N4O3S.C19H17N3O3.C12H10IN3O3/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;1-3-31-25-18-22(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;1-3-27-22-14-19(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;1-3-25-19(23)21-13-6-4-5-12(9-13)18-16(11-20)15-8-7-14(24-2)10-17(15)22-18;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h6-15,17,20,27,30H,5,16,19H2,1-4H3;5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);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;4-10,22H,3H2,1-2H3,(H,21,23);4-5H,3H2,1-2H3/t;;;;18-;;;;;;;/m....1......./s1
InChIKeyHYVFSPNFSXPAAG-OFRRXPIHSA-N
MW5066.52 g/mol
LogP53.48
Rot. Bonds79

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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate (PubChem CID 158023741) has the molecular formula C269H279Cl2IN42O40S4 and a molecular weight of 5066.52 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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate.

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-[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-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate
PubChem CID158023741
Molecular FormulaC269H279Cl2IN42O40S4
Molecular Weight5066.52 g/mol
Exact Mass5061.84
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-[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-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCN1c2cc(OC)ccc2C(C#N)C1c1cccc(CC(=O)OCc2ccc(C(C)C)cc2)c1.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(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)O[C@@H]3CCOC3)c2)c(C#N)c2ccc(OC)cc21.CCn1c(I)c(C#N)c2cc([N+](=O)[O-])c(OC)cc21
InChIInChI=1S/C30H32N2O3.C27H32N4O4.C24H25N3O4.C23H23N5O3S.2C23H23N3O4.C22H24ClN3O3S.C22H22ClN3O3.C22H22N6O3S.C22H26N4O3S.C19H17N3O3.C12H10IN3O3/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;1-3-31-25-18-22(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;1-3-27-22-14-19(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;1-3-25-19(23)21-13-6-4-5-12(9-13)18-16(11-20)15-8-7-14(24-2)10-17(15)22-18;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h6-15,17,20,27,30H,5,16,19H2,1-4H3;5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);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;4-10,22H,3H2,1-2H3,(H,21,23);4-5H,3H2,1-2H3/t;;;;18-;;;;;;;/m....1......./s1
InChIKeyHYVFSPNFSXPAAG-OFRRXPIHSA-N
XLogP53.48
TPSA1040.60 Ų
H-Bond Donors11
H-Bond Acceptors70
Rotatable Bonds79
Heavy Atoms358
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005066.52
LogP ≤ 553.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1070

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-[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-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate (CID 158023741) 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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate is CCCS(=O)(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCl)cc3n2CC)cc1.CCN1c2cc(OC)ccc2C(C#N)C1c1cccc(CC(=O)OCc2ccc(C(C)C)cc2)c1.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(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)O[C@@H]3CCOC3)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;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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate?
The InChIKey is HYVFSPNFSXPAAG-OFRRXPIHSA-N. The full InChI is InChI=1S/C30H32N2O3.C27H32N4O4.C24H25N3O4.C23H23N5O3S.2C23H23N3O4.C22H24ClN3O3S.C22H22ClN3O3.C22H22N6O3S.C22H26N4O3S.C19H17N3O3.C12H10IN3O3/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;1-3-31-25-18-22(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;1-3-27-22-14-19(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;1-3-25-19(23)21-13-6-4-5-12(9-13)18-16(11-20)15-8-7-14(24-2)10-17(15)22-18;1-3-15-9-5-11(19-2)10(16(17)18)4-7(9)8(6-14)12(15)13/h6-15,17,20,27,30H,5,16,19H2,1-4H3;5,7-10,17-18H,3-4,6,11-16H2,1-2H3,(H,29,32);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;4-10,22H,3H2,1-2H3,(H,21,23);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-[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-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-(3-cyano-6-methoxy-1H-indol-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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate has a molecular weight of 5066.52 g/mol, XLogP of 53.48, 79 rotatable bonds, 11 hydrogen bond donors, and 70 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-[6-(2-chloroethoxy)-3-cyano-1-ethylindol-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;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 2-[3-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]acetate is sourced from PubChem (CID 158023741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).