2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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

C127H136F10N22O14S4 — CID 159544085

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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
SMILESCCCS(=O)(=O)N1CCN(c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)CC1.CCNC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCn1c(-c2ccc(N(C)S(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(N2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C23H24FN3O3S.C22H21F3N4O2S.C22H24N4O2.C22H23N3O3.C19H21F3N4O2S.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;1-2-29-20-14-16(22(23,24)25)8-9-18(20)19(15-26)21(29)27-10-12-28(13-11-27)32(30,31)17-6-4-3-5-7-17;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;1-4-25-20-13-16(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;1-2-26-17-11-13(19(20,21)22)3-6-15(17)16(12-23)18(26)24-7-9-25(10-8-24)29(27,28)14-4-5-14;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;3-9,14H,2,10-13H2,1H3;7-13H,4-6H2,1-3H3,(H2,24,25,27);7-13H,4-6H2,1-3H3,(H,24,26);3,6,11,14H,2,4-5,7-10H2,1H3;5-6,12H,3-4,7-11H2,1-2H3
InChIKeyMEOPRALYNOLSNN-UHFFFAOYSA-N
MW2512.87 g/mol
LogP25.03
Rot. Bonds33

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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

2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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 (PubChem CID 159544085) has the molecular formula C127H136F10N22O14S4 and a molecular weight of 2512.87 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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
PubChem CID159544085
Molecular FormulaC127H136F10N22O14S4
Molecular Weight2512.87 g/mol
Exact Mass2510.93
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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
SMILESCCCS(=O)(=O)N1CCN(c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)CC1.CCNC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCn1c(-c2ccc(N(C)S(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(N2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C23H24FN3O3S.C22H21F3N4O2S.C22H24N4O2.C22H23N3O3.C19H21F3N4O2S.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;1-2-29-20-14-16(22(23,24)25)8-9-18(20)19(15-26)21(29)27-10-12-28(13-11-27)32(30,31)17-6-4-3-5-7-17;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;1-4-25-20-13-16(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;1-2-26-17-11-13(19(20,21)22)3-6-15(17)16(12-23)18(26)24-7-9-25(10-8-24)29(27,28)14-4-5-14;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;3-9,14H,2,10-13H2,1H3;7-13H,4-6H2,1-3H3,(H2,24,25,27);7-13H,4-6H2,1-3H3,(H,24,26);3,6,11,14H,2,4-5,7-10H2,1H3;5-6,12H,3-4,7-11H2,1-2H3
InChIKeyMEOPRALYNOLSNN-UHFFFAOYSA-N
XLogP25.03
TPSA438.71 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002512.87
LogP ≤ 525.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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 with MolForge

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Related Compounds

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
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
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
6-(3-cyano-6-cyclobutyl-1-cyclopentylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclobutyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-6-cyclopropyl-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;6-[3-cyano-1,6-di(cyclobutyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
CID 157878762
1-[4-(3-cyano-1-ethyl-6-methoxy-2,3-dihydroindol-2-yl)phenyl]-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-cyclopropylbenzenesulfonamide;4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-N-(2-hydroxyethyl)benzenesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;2,2-dimethylpropyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 157953821
1-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]-3-propan-2-ylurea;1-[4-[3-cyano-1-(cyclopropylmethyl)-6-morpholin-4-ylindol-2-yl]phenyl]-3-cyclobutylurea;N-[4-(3-cyano-1-cyclopropyl-6-morpholin-4-ylindol-2-yl)phenyl]cyclopropanesulfonamide;1-cyclopropyl-6-(oxan-4-yloxy)-2-[4-(propan-2-ylsulfamoylamino)phenyl]indole-3-carbonitrile;[(1R)-1-(4-fluorophenyl)ethyl] N-[4-[3-cyano-1-cyclobutyl-6-(1,3-dioxolan-4-ylmethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[(1-ethylimidazol-2-yl)methoxy]indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-cyano-1-cyclobutyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]carbamate
CID 158131561
butyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate;tert-butyl 4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperazine-1-carboxylate;tert-butyl N-[1-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]piperidin-4-yl]carbamate;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]propane-2-sulfonamide;methyl N-[3-(1-benzyl-3-cyano-6-methoxyindol-2-yl)phenyl]carbamate
CID 158198035
6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-1-cyclopentyl-6-cyclopropylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide;2-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide;2-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]-N-[(1S)-1-cyclopropylethyl]pyrimidine-5-sulfonamide;6-(3-cyano-6-methyl-1-propan-2-ylindol-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;molecular hydrogen
CID 158388907
2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)indole-3-carbonitrile;benzyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]benzenesulfonamide;4-[3-cyano-1-ethyl-5-(3-methoxyphenyl)indol-2-yl]-N-methylbenzenesulfonamide;1-ethyl-6-methoxy-2-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]indole-3-carbonitrile
CID 158514639
CID 158544701
CID 158544701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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 159544085) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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 is CCCS(=O)(=O)N1CCN(c2c(C#N)c3ccc(C(F)(F)F)cc3n2CC)CC1.CCNC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCOC(=O)Nc1ccc2c(C#N)c(-c3ccc(OCC)cc3)n(CC)c2c1.CCn1c(-c2ccc(N(C)S(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OCCF)cc21.CCn1c(N2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.CCn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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?
The InChIKey is MEOPRALYNOLSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S.C22H21F3N4O2S.C22H24N4O2.C22H23N3O3.C19H21F3N4O2S.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;1-2-29-20-14-16(22(23,24)25)8-9-18(20)19(15-26)21(29)27-10-12-28(13-11-27)32(30,31)17-6-4-3-5-7-17;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;1-4-25-20-13-16(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;1-2-26-17-11-13(19(20,21)22)3-6-15(17)16(12-23)18(26)24-7-9-25(10-8-24)29(27,28)14-4-5-14;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;3-9,14H,2,10-13H2,1H3;7-13H,4-6H2,1-3H3,(H2,24,25,27);7-13H,4-6H2,1-3H3,(H,24,26);3,6,11,14H,2,4-5,7-10H2,1H3;5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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?
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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 has a molecular weight of 2512.87 g/mol, XLogP of 25.03, 33 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-[3-cyano-2-(4-ethoxyphenyl)-1-ethylindol-6-yl]-3-ethylurea;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 is sourced from PubChem (CID 159544085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).