ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid

C90H87N5O25S4 — CID 158071786

IUPACethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1CC1c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.CCOC(=O)C=Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.COc1ccc(S(=O)(=O)n2cc(C3CC3C(=O)O)c3cc(OC)ccc32)cc1.COc1ccc(S(=O)(=O)n2cc(C=O)c3cc(OC)ccc32)cc1.COc1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C22H23NO6S.C21H21NO6S.C20H19NO6S.C17H15NO5S.C10H9NO2/c1-4-29-22(24)19-12-17(19)20-13-23(21-10-7-15(28-3)11-18(20)21)30(25,26)16-8-5-14(27-2)6-9-16;1-4-28-21(23)12-5-15-14-22(20-11-8-17(27-3)13-19(15)20)29(24,25)18-9-6-16(26-2)7-10-18;1-26-12-3-6-14(7-4-12)28(24,25)21-11-18(15-10-17(15)20(22)23)16-9-13(27-2)5-8-19(16)21;1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-9-14(23-2)5-8-17(16)18;1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h5-11,13,17,19H,4,12H2,1-3H3;5-14H,4H2,1-3H3;3-9,11,15,17H,10H2,1-2H3,(H,22,23);3-11H,1-2H3;2-6,11H,1H3
InChIKeyFLXCSSDEWZLEOC-UHFFFAOYSA-N
MW1766.96 g/mol
LogP14.81
Rot. Bonds27

About ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid

ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid (PubChem CID 158071786) has the molecular formula C90H87N5O25S4 and a molecular weight of 1766.96 g/mol. Its IUPAC name is ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid
PubChem CID158071786
Molecular FormulaC90H87N5O25S4
Molecular Weight1766.96 g/mol
Exact Mass1765.46
IUPAC Nameethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)C1CC1c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.CCOC(=O)C=Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.COc1ccc(S(=O)(=O)n2cc(C3CC3C(=O)O)c3cc(OC)ccc32)cc1.COc1ccc(S(=O)(=O)n2cc(C=O)c3cc(OC)ccc32)cc1.COc1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C22H23NO6S.C21H21NO6S.C20H19NO6S.C17H15NO5S.C10H9NO2/c1-4-29-22(24)19-12-17(19)20-13-23(21-10-7-15(28-3)11-18(20)21)30(25,26)16-8-5-14(27-2)6-9-16;1-4-28-21(23)12-5-15-14-22(20-11-8-17(27-3)13-19(15)20)29(24,25)18-9-6-16(26-2)7-10-18;1-26-12-3-6-14(7-4-12)28(24,25)21-11-18(15-10-17(15)20(22)23)16-9-13(27-2)5-8-19(16)21;1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-9-14(23-2)5-8-17(16)18;1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h5-11,13,17,19H,4,12H2,1-3H3;5-14H,4H2,1-3H3;3-9,11,15,17H,10H2,1-2H3,(H,22,23);3-11H,1-2H3;2-6,11H,1H3
InChIKeyFLXCSSDEWZLEOC-UHFFFAOYSA-N
XLogP14.81
TPSA379.18 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001766.96
LogP ≤ 514.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

methane;4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate
CID 157208750
CID 158476025
CID 158476025
4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;6-methoxy-3-(4-methoxyphenyl)sulfonyl-3H-indene-1-carbaldehyde;3-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-3H-inden-1-yl]propanoic acid;(E)-3-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-3H-inden-1-yl]prop-2-enoic acid;propanedioic acid
CID 158513626
3-[5-Ethoxy-1-(4-phenoxyphenyl)sulfonylindol-3-yl]propanoic acid;3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanoic acid;3-[5-methoxy-1-[4-[(quinolin-7-ylamino)methyl]phenyl]sulfonylindol-3-yl]propanoic acid;methyl 3-[5-methoxy-1-(3-phenoxyphenyl)sulfonylindol-3-yl]propanoate;methyl 3-[5-methoxy-1-(4-phenoxyphenyl)sulfonylindol-3-yl]propanoate
CID 159046909
dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide
CID 159261687
3-(2-cyclopropyl-1H-indol-3-yl)-4-hydroxy-5-[7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-1H-indole-3-carbonyl]thiophene-2-carboxylic acid;4-hydroxy-5-[7-[(E)-4-hydroxy-3-methylbut-2-enyl]-1H-indole-3-carbonyl]-3-(1H-indol-3-yl)thiophene-2-carboxylic acid;4-hydroxy-5-[7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-1H-indole-3-carbonyl]-3-(5-methoxy-1H-indol-3-yl)thiophene-2-carboxylic acid;4-hydroxy-5-[7-(4-hydroxy-3-methylbutyl)-1H-indole-3-carbonyl]-3-(5-methoxy-1H-indol-3-yl)thiophene-2-carboxylic acid
CID 159508985
lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide
CID 159543283
4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;tris(5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde);propanedioic acid
CID 159696311
4-butoxybenzenesulfonyl chloride;3-[1-(4-butoxyphenyl)sulfonyl-5-methoxyindol-3-yl]propanenitrile;1-(4-butoxyphenyl)sulfonyl-5-methoxy-3-[2-(2H-tetrazol-5-yl)ethyl]indole;5-methoxy-1H-indole-3-carbaldehyde;3-(5-methoxy-1H-indol-3-yl)propanenitrile;(E)-3-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile
CID 159711368
CID 159820265
CID 159820265
5-bromothiophene-2-sulfonyl chloride;ethyl 3-[1-(5-bromothiophen-2-yl)sulfonyl-5-methoxyindol-3-yl]propanoate;ethyl 3-(5-methoxy-1H-indol-3-yl)propanoate;ethyl (E)-3-(5-methoxy-1H-indol-3-yl)prop-2-enoate;ethyl 3-[5-methoxy-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylindol-3-yl]propanoate;5-methoxy-1H-indole-3-carbaldehyde;3-[5-methoxy-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylindol-3-yl]propanoic acid;(4-methoxyphenyl)boronic acid
CID 160392086
4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid;(E)-3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoic acid;propanedioic acid
CID 160406817

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid (CID 158071786) is ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid is CCOC(=O)C1CC1c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.CCOC(=O)C=Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.COc1ccc(S(=O)(=O)n2cc(C3CC3C(=O)O)c3cc(OC)ccc32)cc1.COc1ccc(S(=O)(=O)n2cc(C=O)c3cc(OC)ccc32)cc1.COc1ccc2[nH]cc(C=O)c2c1.
What is the InChIKey of ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid?
The InChIKey is FLXCSSDEWZLEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6S.C21H21NO6S.C20H19NO6S.C17H15NO5S.C10H9NO2/c1-4-29-22(24)19-12-17(19)20-13-23(21-10-7-15(28-3)11-18(20)21)30(25,26)16-8-5-14(27-2)6-9-16;1-4-28-21(23)12-5-15-14-22(20-11-8-17(27-3)13-19(15)20)29(24,25)18-9-6-16(26-2)7-10-18;1-26-12-3-6-14(7-4-12)28(24,25)21-11-18(15-10-17(15)20(22)23)16-9-13(27-2)5-8-19(16)21;1-22-13-3-6-15(7-4-13)24(20,21)18-10-12(11-19)16-9-14(23-2)5-8-17(16)18;1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h5-11,13,17,19H,4,12H2,1-3H3;5-14H,4H2,1-3H3;3-9,11,15,17H,10H2,1-2H3,(H,22,23);3-11H,1-2H3;2-6,11H,1H3.
What are the key properties of ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid?
ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid has a molecular weight of 1766.96 g/mol, XLogP of 14.81, 27 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 158071786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).