2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide

C212H201F3N24O19S5 — CID 158418916

IUPAC2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2cccc(NS(=O)(=O)C3CC3)c2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C28H27N3O3S.C28H29N3O3S.C27H22F3N3O2.2C27H27N3O3S.C26H25N3O3S.C25H23N3O.C24H21N3O/c1-2-15-31-27-14-11-23(34-19-20-7-4-3-5-8-20)17-25(27)26(18-29)28(31)21-9-6-10-22(16-21)30-35(32,33)24-12-13-24;1-3-16-31-27-18-24(34-20-21-8-6-5-7-9-21)14-15-25(27)26(19-29)28(31)22-10-12-23(13-11-22)30-35(32,33)17-4-2;1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18;1-3-15-30-26-14-13-23(33-19-20-9-6-5-7-10-20)17-24(26)25(18-28)27(30)21-11-8-12-22(16-21)29-34(31,32)4-2;1-3-16-30-26-17-23(33-19-20-8-6-5-7-9-20)14-15-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-3-15-29-25-16-22(32-18-19-7-5-4-6-8-19)13-14-23(25)24(17-27)26(29)20-9-11-21(12-10-20)28-33(2,30)31;1-2-14-28-24-15-21(29-17-18-6-4-3-5-7-18)12-13-22(24)23(16-26)25(28)19-8-10-20(27)11-9-19;1-2-27-23-13-12-20(28-16-17-6-4-3-5-7-17)14-21(23)22(15-25)24(27)18-8-10-19(26)11-9-18/h3-11,14,16-17,24,30H,2,12-13,15,19H2,1H3;5-15,18,30H,3-4,16-17,20H2,1-2H3;3-7,9-14,16H,2,8,15H2,1H3,(H,32,34);5-14,16-17,29H,3-4,15,19H2,1-2H3;5-15,17,29H,3-4,16,19H2,1-2H3;4-14,16,28H,3,15,18H2,1-2H3;3-13,15H,2,14,17,27H2,1H3;3-14H,2,16,26H2,1H3
InChIKeyHAGBQYWDAACKAT-UHFFFAOYSA-N
MW3606.42 g/mol
LogP47.58
Rot. Bonds63

About 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide

2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 158418916) has the molecular formula C212H201F3N24O19S5 and a molecular weight of 3606.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
PubChem CID158418916
Molecular FormulaC212H201F3N24O19S5
Molecular Weight3606.42 g/mol
Exact Mass3603.41
IUPAC Name2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2cccc(NS(=O)(=O)C3CC3)c2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C28H27N3O3S.C28H29N3O3S.C27H22F3N3O2.2C27H27N3O3S.C26H25N3O3S.C25H23N3O.C24H21N3O/c1-2-15-31-27-14-11-23(34-19-20-7-4-3-5-8-20)17-25(27)26(18-29)28(31)21-9-6-10-22(16-21)30-35(32,33)24-12-13-24;1-3-16-31-27-18-24(34-20-21-8-6-5-7-9-21)14-15-25(27)26(19-29)28(31)22-10-12-23(13-11-22)30-35(32,33)17-4-2;1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18;1-3-15-30-26-14-13-23(33-19-20-9-6-5-7-10-20)17-24(26)25(18-28)27(30)21-11-8-12-22(16-21)29-34(31,32)4-2;1-3-16-30-26-17-23(33-19-20-8-6-5-7-9-20)14-15-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-3-15-29-25-16-22(32-18-19-7-5-4-6-8-19)13-14-23(25)24(17-27)26(29)20-9-11-21(12-10-20)28-33(2,30)31;1-2-14-28-24-15-21(29-17-18-6-4-3-5-7-18)12-13-22(24)23(16-26)25(28)19-8-10-20(27)11-9-19;1-2-27-23-13-12-20(28-16-17-6-4-3-5-7-17)14-21(23)22(15-25)24(27)18-8-10-19(26)11-9-18/h3-11,14,16-17,24,30H,2,12-13,15,19H2,1H3;5-15,18,30H,3-4,16-17,20H2,1-2H3;3-7,9-14,16H,2,8,15H2,1H3,(H,32,34);5-14,16-17,29H,3-4,15,19H2,1-2H3;5-15,17,29H,3-4,16,19H2,1-2H3;4-14,16,28H,3,15,18H2,1-2H3;3-13,15H,2,14,17,27H2,1H3;3-14H,2,16,26H2,1H3
InChIKeyHAGBQYWDAACKAT-UHFFFAOYSA-N
XLogP47.58
TPSA615.59 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds63
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003606.42
LogP ≤ 547.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

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
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
CID 157160921
CID 157160921
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
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-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
N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[4-(5-chloro-3-cyano-1-ethylindol-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-[3-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethenesulfonamide;N-[4-(3-cyano-5-methoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;propyl N-[3-(3-cyano-1-ethyl-5-morpholin-4-ylindol-2-yl)phenyl]carbamate
CID 157675193
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide (CID 158418916) is 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide is CCCn1c(-c2ccc(N)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CC)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2ccc(OCc3ccccc3)cc21.CCCn1c(-c2cccc(NS(=O)(=O)C3CC3)c2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCCn1c(-c2cccc(NS(=O)(=O)CC)c2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(N)cc2)c(C#N)c2cc(OCc3ccccc3)ccc21.CCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.
What is the InChIKey of 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is HAGBQYWDAACKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S.C28H29N3O3S.C27H22F3N3O2.2C27H27N3O3S.C26H25N3O3S.C25H23N3O.C24H21N3O/c1-2-15-31-27-14-11-23(34-19-20-7-4-3-5-8-20)17-25(27)26(18-29)28(31)21-9-6-10-22(16-21)30-35(32,33)24-12-13-24;1-3-16-31-27-18-24(34-20-21-8-6-5-7-9-21)14-15-25(27)26(19-29)28(31)22-10-12-23(13-11-22)30-35(32,33)17-4-2;1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18;1-3-15-30-26-14-13-23(33-19-20-9-6-5-7-10-20)17-24(26)25(18-28)27(30)21-11-8-12-22(16-21)29-34(31,32)4-2;1-3-16-30-26-17-23(33-19-20-8-6-5-7-9-20)14-15-24(26)25(18-28)27(30)21-10-12-22(13-11-21)29-34(31,32)4-2;1-3-15-29-25-16-22(32-18-19-7-5-4-6-8-19)13-14-23(25)24(17-27)26(29)20-9-11-21(12-10-20)28-33(2,30)31;1-2-14-28-24-15-21(29-17-18-6-4-3-5-7-18)12-13-22(24)23(16-26)25(28)19-8-10-20(27)11-9-19;1-2-27-23-13-12-20(28-16-17-6-4-3-5-7-17)14-21(23)22(15-25)24(27)18-8-10-19(26)11-9-18/h3-11,14,16-17,24,30H,2,12-13,15,19H2,1H3;5-15,18,30H,3-4,16-17,20H2,1-2H3;3-7,9-14,16H,2,8,15H2,1H3,(H,32,34);5-14,16-17,29H,3-4,15,19H2,1-2H3;5-15,17,29H,3-4,16,19H2,1-2H3;4-14,16,28H,3,15,18H2,1-2H3;3-13,15H,2,14,17,27H2,1H3;3-14H,2,16,26H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 3606.42 g/mol, XLogP of 47.58, 63 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-ethyl-5-phenylmethoxyindole-3-carbonitrile;2-(4-aminophenyl)-6-phenylmethoxy-1-propylindole-3-carbonitrile;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]cyclopropanesulfonamide;N-[3-(3-cyano-5-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-phenylmethoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 158418916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).