1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate

C137H137ClN18O17S4 — CID 159821491

IUPAC1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3CC)c2)cc1.CCOc1ccc2cc(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2cc(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)Nc3ccc(Cc4ccccc4)cc3)c2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC(C)C)c2c1
InChIInChI=1S/C32H28N4O2.C28H26N4O4.C21H23N3O3S.C20H24N2O3S.C19H22N2O3S.C17H14ClN3O2S/c1-3-36-30-20-27(38-2)16-17-28(30)29(21-33)31(36)24-10-7-11-26(19-24)35-32(37)34-25-14-12-23(13-15-25)18-22-8-5-4-6-9-22;1-4-32-25-16-22(35-3)13-14-23(25)24(17-29)26(32)19-7-6-8-21(15-19)31-28(34)30-20-11-9-18(10-12-20)27(33)36-5-2;1-14(2)13-24-20-11-17(27-3)9-10-18(20)19(12-22)21(24)15-5-7-16(8-6-15)23-28(4,25)26;1-4-22-19(13-16-9-12-18(25-5-2)14-20(16)22)15-7-10-17(11-8-15)21-26(23,24)6-3;1-4-21-18(12-15-8-11-17(24-5-2)13-19(15)21)14-6-9-16(10-7-14)20-25(3,22)23;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23/h4-17,19-20H,3,18H2,1-2H3,(H2,34,35,37);6-16H,4-5H2,1-3H3,(H2,30,31,34);5-11,14,23H,13H2,1-4H3;7-14,21H,4-6H2,1-3H3;6-13,20H,4-5H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23)
InChIKeyNMHINOJIBQOWAU-UHFFFAOYSA-N
MW2471.43 g/mol
LogP29.78
Rot. Bonds36

About 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate

1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate (PubChem CID 159821491) has the molecular formula C137H137ClN18O17S4 and a molecular weight of 2471.43 g/mol. Its IUPAC name is 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate.

Molecular Properties

Compound Name1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
PubChem CID159821491
Molecular FormulaC137H137ClN18O17S4
Molecular Weight2471.43 g/mol
Exact Mass2468.90
IUPAC Name1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3CC)c2)cc1.CCOc1ccc2cc(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2cc(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)Nc3ccc(Cc4ccccc4)cc3)c2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC(C)C)c2c1
InChIInChI=1S/C32H28N4O2.C28H26N4O4.C21H23N3O3S.C20H24N2O3S.C19H22N2O3S.C17H14ClN3O2S/c1-3-36-30-20-27(38-2)16-17-28(30)29(21-33)31(36)24-10-7-11-26(19-24)35-32(37)34-25-14-12-23(13-15-25)18-22-8-5-4-6-9-22;1-4-32-25-16-22(35-3)13-14-23(25)24(17-29)26(32)19-7-6-8-21(15-19)31-28(34)30-20-11-9-18(10-12-20)27(33)36-5-2;1-14(2)13-24-20-11-17(27-3)9-10-18(20)19(12-22)21(24)15-5-7-16(8-6-15)23-28(4,25)26;1-4-22-19(13-16-9-12-18(25-5-2)14-20(16)22)15-7-10-17(11-8-15)21-26(23,24)6-3;1-4-21-18(12-15-8-11-17(24-5-2)13-19(15)21)14-6-9-16(10-7-14)20-25(3,22)23;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23/h4-17,19-20H,3,18H2,1-2H3,(H2,34,35,37);6-16H,4-5H2,1-3H3,(H2,30,31,34);5-11,14,23H,13H2,1-4H3;7-14,21H,4-6H2,1-3H3;6-13,20H,4-5H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23)
InChIKeyNMHINOJIBQOWAU-UHFFFAOYSA-N
XLogP29.78
TPSA478.12 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002471.43
LogP ≤ 529.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate with MolForge

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Related Compounds

N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;3-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]ethanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 157382502
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;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-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 159821330
1-butyl-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]methanesulfonamide;3-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propane-1-sulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propan-2-ylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-prop-2-enylurea;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-propylurea
CID 160211074
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(3-cyano-6-ethoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]morpholine-4-carboxamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 160472021
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate
CID 161199032
2-chloro-N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;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-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]benzamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]propanamide
CID 161461739
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;ethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;methyl 3-cyano-1-ethyl-2-[4-(ethylsulfonylamino)phenyl]indole-6-carboxylate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 161980721
2-(3-aminophenyl)-5-chloro-1-ethylindole-3-carbonitrile;4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide;4-(3-cyano-1-ethylindol-2-yl)-N-ethylbenzamide;2-(2,3-dihydro-1-benzofuran-5-yl)-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(1H-indol-2-yl)-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(1-methylindol-5-yl)indole-3-carbonitrile
CID 157149641
N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]-1-phenylmethanesulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide;N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]propane-2-sulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]carbamate
CID 157207304
bis(1-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]-3-propylurea);2-chloroethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate;N-[4-(3-cyano-1-ethenyl-6-methoxyindol-2-yl)phenyl]cyclopropanesulfonamide;ethyl N-[4-(5-chloro-3-cyano-1-ethylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 157248030
1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-propan-2-ylphenyl)urea;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;2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;ethyl N-[3-[6-(3-chloropropoxy)-3-cyano-1-ethylindol-2-yl]phenyl]carbamate
CID 157253764
4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;1-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-(4-phenoxyphenyl)urea;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate
CID 157290308

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?
The IUPAC name of 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate (CID 159821491) is 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate.
What is the SMILES notation for 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?
The canonical SMILES for 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3c(C#N)c4ccc(OC)cc4n3CC)c2)cc1.CCOc1ccc2cc(-c3ccc(NS(=O)(=O)CC)cc3)n(CC)c2c1.CCOc1ccc2cc(-c3ccc(NS(C)(=O)=O)cc3)n(CC)c2c1.CCn1c(-c2ccc(S(N)(=O)=O)cc2)c(C#N)c2cc(Cl)ccc21.CCn1c(-c2cccc(NC(=O)Nc3ccc(Cc4ccccc4)cc3)c2)c(C#N)c2ccc(OC)cc21.COc1ccc2c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)n(CC(C)C)c2c1.
What is the InChIKey of 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?
The InChIKey is NMHINOJIBQOWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O2.C28H26N4O4.C21H23N3O3S.C20H24N2O3S.C19H22N2O3S.C17H14ClN3O2S/c1-3-36-30-20-27(38-2)16-17-28(30)29(21-33)31(36)24-10-7-11-26(19-24)35-32(37)34-25-14-12-23(13-15-25)18-22-8-5-4-6-9-22;1-4-32-25-16-22(35-3)13-14-23(25)24(17-29)26(32)19-7-6-8-21(15-19)31-28(34)30-20-11-9-18(10-12-20)27(33)36-5-2;1-14(2)13-24-20-11-17(27-3)9-10-18(20)19(12-22)21(24)15-5-7-16(8-6-15)23-28(4,25)26;1-4-22-19(13-16-9-12-18(25-5-2)14-20(16)22)15-7-10-17(11-8-15)21-26(23,24)6-3;1-4-21-18(12-15-8-11-17(24-5-2)13-19(15)21)14-6-9-16(10-7-14)20-25(3,22)23;1-2-21-16-8-5-12(18)9-14(16)15(10-19)17(21)11-3-6-13(7-4-11)24(20,22)23/h4-17,19-20H,3,18H2,1-2H3,(H2,34,35,37);6-16H,4-5H2,1-3H3,(H2,30,31,34);5-11,14,23H,13H2,1-4H3;7-14,21H,4-6H2,1-3H3;6-13,20H,4-5H2,1-3H3;3-9H,2H2,1H3,(H2,20,22,23).
What are the key properties of 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate?
1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate has a molecular weight of 2471.43 g/mol, XLogP of 29.78, 36 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylphenyl)-3-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]urea;4-(5-chloro-3-cyano-1-ethylindol-2-yl)benzenesulfonamide;N-[4-[3-cyano-6-methoxy-1-(2-methylpropyl)indol-2-yl]phenyl]methanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]ethanesulfonamide;N-[4-(6-ethoxy-1-ethylindol-2-yl)phenyl]methanesulfonamide;ethyl 4-[[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamoylamino]benzoate is sourced from PubChem (CID 159821491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).