N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile

C130H142F4N20O16S4 — CID 159424146

IUPACN-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCCS(=O)(=O)N1CCN(c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)CC1.CCCS(=O)(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCNC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)C4CC4)cc3n2CC)cc1.CCn1c(-c2ccc(N(C)S(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C23H24FN3O3S.C22H24N4O2.C22H23N3O3S.C22H25N3O3S.C22H23N3O3.C19H23F3N4O2S/c1-3-27-22-14-18(30-13-12-24)8-11-20(22)21(15-25)23(27)16-4-6-17(7-5-16)26(2)31(28,29)19-9-10-19;1-4-24-22(27)25-16-9-12-18-19(14-23)21(26(5-2)20(18)13-16)15-7-10-17(11-8-15)28-6-3;1-3-25-21-13-16(24-29(26,27)18-10-11-18)7-12-19(21)20(14-23)22(25)15-5-8-17(9-6-15)28-4-2;1-4-13-29(26,27)24-17-9-12-19-20(15-23)22(25(5-2)21(19)14-17)16-7-10-18(11-8-16)28-6-3;1-4-25-20-13-16(24-22(26)28-6-3)9-12-18(20)19(14-23)21(25)15-7-10-17(11-8-15)27-5-2;1-3-11-29(27,28)25-9-7-24(8-10-25)18-16(13-23)15-6-5-14(19(20,21)22)12-17(15)26(18)4-2/h4-8,11,14,19H,3,9-10,12-13H2,1-2H3;7-13H,4-6H2,1-3H3,(H2,24,25,27);5-9,12-13,18,24H,3-4,10-11H2,1-2H3;7-12,14,24H,4-6,13H2,1-3H3;7-13H,4-6H2,1-3H3,(H,24,26);5-6,12H,3-4,7-11H2,1-2H3
InChIKeyLQDDEPRRBRCWIF-UHFFFAOYSA-N
MW2444.95 g/mol
LogP27.05
Rot. Bonds40

About N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile

N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile (PubChem CID 159424146) has the molecular formula C130H142F4N20O16S4 and a molecular weight of 2444.95 g/mol. Its IUPAC name is N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile.

Molecular Properties

Compound NameN-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile
PubChem CID159424146
Molecular FormulaC130H142F4N20O16S4
Molecular Weight2444.95 g/mol
Exact Mass2442.97
IUPAC NameN-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile
SMILESCCCS(=O)(=O)N1CCN(c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)CC1.CCCS(=O)(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCNC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)C4CC4)cc3n2CC)cc1.CCn1c(-c2ccc(N(C)S(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C23H24FN3O3S.C22H24N4O2.C22H23N3O3S.C22H25N3O3S.C22H23N3O3.C19H23F3N4O2S/c1-3-27-22-14-18(30-13-12-24)8-11-20(22)21(15-25)23(27)16-4-6-17(7-5-16)26(2)31(28,29)19-9-10-19;1-4-24-22(27)25-16-9-12-18-19(14-23)21(26(5-2)20(18)13-16)15-7-10-17(11-8-15)28-6-3;1-3-25-21-13-16(24-29(26,27)18-10-11-18)7-12-19(21)20(14-23)22(25)15-5-8-17(9-6-15)28-4-2;1-4-13-29(26,27)24-17-9-12-19-20(15-23)22(25(5-2)21(19)14-17)16-7-10-18(11-8-16)28-6-3;1-4-25-20-13-16(24-22(26)28-6-3)9-12-18(20)19(14-23)21(25)15-7-10-17(11-8-15)27-5-2;1-3-11-29(27,28)25-9-7-24(8-10-25)18-16(13-23)15-6-5-14(19(20,21)22)12-17(15)26(18)4-2/h4-8,11,14,19H,3,9-10,12-13H2,1-2H3;7-13H,4-6H2,1-3H3,(H2,24,25,27);5-9,12-13,18,24H,3-4,10-11H2,1-2H3;7-12,14,24H,4-6,13H2,1-3H3;7-13H,4-6H2,1-3H3,(H,24,26);5-6,12H,3-4,7-11H2,1-2H3
InChIKeyLQDDEPRRBRCWIF-UHFFFAOYSA-N
XLogP27.05
TPSA468.27 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002444.95
LogP ≤ 527.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile with MolForge

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Related Compounds

CID 157133551
CID 157133551
2-[4-(2-chloroethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile;propan-2-yl N-[3-(3-cyano-1-cyclopentyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 157172112
N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide
CID 157180715
N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]propane-1-sulfonamide;1-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2,6-difluorophenyl]-3-propan-2-ylurea;1-[4-(3-cyano-1-cyclobutyl-6-pyrimidin-2-yloxyindol-2-yl)-2,6-difluorophenyl]-3-propan-2-ylurea;N-[4-[3-cyano-1-cyclopropyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]indol-2-yl]-3-methylphenyl]propane-1-sulfonamide;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]carbamate;[(1R)-1-cyclopropylethyl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2,6-difluorophenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]-2,6-difluorophenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]carbamate
CID 157180987
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]phenyl]ethanesulfonamide;1-ethyl-2-(methylamino)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157247576
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 157269929
6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;6-bromo-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;tert-butyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;N-[3-cyano-2-[4-(difluoromethoxy)phenyl]-1H-indol-6-yl]ethanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate
CID 157327365
3-chloro-N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide;N-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;(4-methoxyphenyl) N-[3-(3-cyano-6-methoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate
CID 157429215
N-[4-[3-cyano-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-methylindol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]methanesulfonamide;1-[3-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157685862
N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)benzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-propylbenzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]cyclopropanesulfonamide;ethyl N-[4-(3-cyano-1-ethylindol-2-yl)phenyl]carbamate;methyl 2-[[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]sulfonylamino]acetate
CID 157733347
5-acetyl-6-ethoxy-1-ethyl-2-(4-nitrophenyl)indole-3-carbonitrile;6-amino-2-(4-ethoxyphenyl)-1-ethylindole-3-carbonitrile;2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]methanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157785107
N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]ethanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile
CID 157796223

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile?
The IUPAC name of N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile (CID 159424146) is N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile.
What is the SMILES notation for N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile?
The canonical SMILES for N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile is CCCS(=O)(=O)N1CCN(c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)CC1.CCCS(=O)(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCNC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOc1ccc(-c2c(C#N)c3ccc(NS(=O)(=O)C4CC4)cc3n2CC)cc1.CCn1c(-c2ccc(N(C)S(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.
What is the InChIKey of N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile?
The InChIKey is LQDDEPRRBRCWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S.C22H24N4O2.C22H23N3O3S.C22H25N3O3S.C22H23N3O3.C19H23F3N4O2S/c1-3-27-22-14-18(30-13-12-24)8-11-20(22)21(15-25)23(27)16-4-6-17(7-5-16)26(2)31(28,29)19-9-10-19;1-4-24-22(27)25-16-9-12-18-19(14-23)21(26(5-2)20(18)13-16)15-7-10-17(11-8-15)28-6-3;1-3-25-21-13-16(24-29(26,27)18-10-11-18)7-12-19(21)20(14-23)22(25)15-5-8-17(9-6-15)28-4-2;1-4-13-29(26,27)24-17-9-12-19-20(15-23)22(25(5-2)21(19)14-17)16-7-10-18(11-8-16)28-6-3;1-4-25-20-13-16(24-22(26)28-6-3)9-12-18(20)19(14-23)21(25)15-7-10-17(11-8-15)27-5-2;1-3-11-29(27,28)25-9-7-24(8-10-25)18-16(13-23)15-6-5-14(19(20,21)22)12-17(15)26(18)4-2/h4-8,11,14,19H,3,9-10,12-13H2,1-2H3;7-13H,4-6H2,1-3H3,(H2,24,25,27);5-9,12-13,18,24H,3-4,10-11H2,1-2H3;7-12,14,24H,4-6,13H2,1-3H3;7-13H,4-6H2,1-3H3,(H,24,26);5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile?
N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile has a molecular weight of 2444.95 g/mol, XLogP of 27.05, 40 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]cyclopropanesulfonamide;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]propane-1-sulfonamide;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]-N-methylcyclopropanesulfonamide;ethyl N-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]carbamate;1-ethyl-2-(4-propylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indole-3-carbonitrile is sourced from PubChem (CID 159424146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).