N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile

C137H145F4N19O18S6 — CID 158684680

IUPACN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile
SMILESCCCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCN1c2cc(OC(F)(F)F)ccc2C(C#N)C1c1ccc(NS(C)(=O)=O)cc1.CCn1c(-c2ccc(N(C)S(=O)(=O)CCN3CCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C27H27N3O3S.C25H30N4O3S.C23H25N3O3S.C22H22FN3O3S.C21H23N3O3S.C19H18F3N3O3S/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-4-29-24-17-21(32-3)11-12-22(24)23(18-26)25(29)19-7-9-20(10-8-19)27(2)33(30,31)16-15-28-13-5-6-14-28;1-3-4-13-26-22-14-18(29-2)9-12-20(22)21(15-24)23(26)16-5-7-17(8-6-16)25-30(27,28)19-10-11-19;1-2-25-21-14-18(29-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-30(26,27)28;1-4-5-12-24-20-13-17(27-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-3-25-17-10-14(28-19(20,21)22)8-9-15(17)16(11-23)18(25)12-4-6-13(7-5-12)24-29(2,26)27/h5-15,17,29H,3-4,16,19H2,1-2H3;7-12,17H,4-6,13-16H2,1-3H3;5-9,12,14,19,25H,3-4,10-11,13H2,1-2H3;4-9,14H,2-3,10-13H2,1H3;6-11,13,23H,4-5,12H2,1-3H3;4-10,16,18,24H,3H2,1-2H3
InChIKeyIFOUPTAAPVHYOD-UHFFFAOYSA-N
MW2614.18 g/mol
LogP27.49
Rot. Bonds43

About N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile

N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile (PubChem CID 158684680) has the molecular formula C137H145F4N19O18S6 and a molecular weight of 2614.18 g/mol. Its IUPAC name is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile.

Molecular Properties

Compound NameN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile
PubChem CID158684680
Molecular FormulaC137H145F4N19O18S6
Molecular Weight2614.18 g/mol
Exact Mass2611.93
IUPAC NameN-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile
SMILESCCCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCN1c2cc(OC(F)(F)F)ccc2C(C#N)C1c1ccc(NS(C)(=O)=O)cc1.CCn1c(-c2ccc(N(C)S(=O)(=O)CCN3CCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCF)cc21
InChIInChI=1S/C27H27N3O3S.C25H30N4O3S.C23H25N3O3S.C22H22FN3O3S.C21H23N3O3S.C19H18F3N3O3S/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-4-29-24-17-21(32-3)11-12-22(24)23(18-26)25(29)19-7-9-20(10-8-19)27(2)33(30,31)16-15-28-13-5-6-14-28;1-3-4-13-26-22-14-18(29-2)9-12-20(22)21(15-24)23(26)16-5-7-17(8-6-16)25-30(27,28)19-10-11-19;1-2-25-21-14-18(29-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-30(26,27)28;1-4-5-12-24-20-13-17(27-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-3-25-17-10-14(28-19(20,21)22)8-9-15(17)16(11-23)18(25)12-4-6-13(7-5-12)24-29(2,26)27/h5-15,17,29H,3-4,16,19H2,1-2H3;7-12,17H,4-6,13-16H2,1-3H3;5-9,12,14,19,25H,3-4,10-11,13H2,1-2H3;4-9,14H,2-3,10-13H2,1H3;6-11,13,23H,4-5,12H2,1-3H3;4-10,16,18,24H,3H2,1-2H3
InChIKeyIFOUPTAAPVHYOD-UHFFFAOYSA-N
XLogP27.49
TPSA488.69 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds43
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002614.18
LogP ≤ 527.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile with MolForge

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Related Compounds

N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;1-(cyclopropylmethyl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxyindole-3-carbonitrile;1-(cyclopropylmethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-methoxy-1-(2-methylpropyl)indole-3-carbonitrile
CID 157091991
2-(3-Aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile
CID 157115071
N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]cyclopropanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-(2-hydroxyethyl)methanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-(trifluoromethoxy)-1H-indole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate;2-methoxyethyl N-[4-[3-cyano-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 157121571
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-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
2-(4-aminophenyl)-1-ethyl-6-(trifluoromethoxy)indole-3-carbonitrile;N-[4-(4-chloro-3-cyano-1-ethylindol-2-yl)phenyl]ethanesulfonamide;1-chloro-N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide;N-[4-[3-cyano-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-morpholin-4-ylethanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 157427764
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
3-chloro-N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]butane-1-sulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-2,2,2-trifluoroethanesulfonamide;N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]ethanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate
CID 157618580
N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 157618931

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?
The IUPAC name of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile (CID 158684680) is N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile.
What is the SMILES notation for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?
The canonical SMILES for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile is CCCCn1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(C#N)c2ccc(OC)cc21.CCCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OC)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCN1c2cc(OC(F)(F)F)ccc2C(C#N)C1c1ccc(NS(C)(=O)=O)cc1.CCn1c(-c2ccc(N(C)S(=O)(=O)CCN3CCCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCF)cc21.
What is the InChIKey of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?
The InChIKey is IFOUPTAAPVHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S.C25H30N4O3S.C23H25N3O3S.C22H22FN3O3S.C21H23N3O3S.C19H18F3N3O3S/c1-3-16-30-26-15-14-23(33-19-20-8-6-5-7-9-20)17-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-4-29-24-17-21(32-3)11-12-22(24)23(18-26)25(29)19-7-9-20(10-8-19)27(2)33(30,31)16-15-28-13-5-6-14-28;1-3-4-13-26-22-14-18(29-2)9-12-20(22)21(15-24)23(26)16-5-7-17(8-6-16)25-30(27,28)19-10-11-19;1-2-25-21-14-18(29-12-10-23)8-9-19(21)20(15-24)22(25)16-4-6-17(7-5-16)26-11-3-13-30(26,27)28;1-4-5-12-24-20-13-17(27-2)10-11-18(20)19(14-22)21(24)15-6-8-16(9-7-15)23-28(3,25)26;1-3-25-17-10-14(28-19(20,21)22)8-9-15(17)16(11-23)18(25)12-4-6-13(7-5-12)24-29(2,26)27/h5-15,17,29H,3-4,16,19H2,1-2H3;7-12,17H,4-6,13-16H2,1-3H3;5-9,12,14,19,25H,3-4,10-11,13H2,1-2H3;4-9,14H,2-3,10-13H2,1H3;6-11,13,23H,4-5,12H2,1-3H3;4-10,16,18,24H,3H2,1-2H3.
What are the key properties of N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile?
N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile has a molecular weight of 2614.18 g/mol, XLogP of 27.49, 43 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(1-butyl-3-cyano-6-methoxyindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)-2,3-dihydroindol-2-yl]phenyl]methanesulfonamide;N-[4-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(2-fluoroethoxy)indole-3-carbonitrile is sourced from PubChem (CID 158684680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).