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

C127H115N7O29S5 — CID 159046909

IUPAC3-[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
SMILESCCOc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(Oc2ccccc2)cc1.COC(=O)CCc1cn(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OC)cc12.COC(=O)CCc1cn(S(=O)(=O)c2cccc(Oc3ccccc3)c2)c2ccc(OC)cc12.COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(CNc2ccc3cccnc3c2)cc1.COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C28H25N3O5S.3C25H23NO6S.C24H21NO6S/c1-36-23-9-12-27-25(16-23)21(7-13-28(32)33)18-31(27)37(34,35)24-10-4-19(5-11-24)17-30-22-8-6-20-3-2-14-29-26(20)15-22;1-30-20-12-13-24-23(16-20)18(11-14-25(27)31-2)17-26(24)33(28,29)22-10-6-9-21(15-22)32-19-7-4-3-5-8-19;1-30-21-11-14-24-23(16-21)18(8-15-25(27)31-2)17-26(24)33(28,29)22-12-9-20(10-13-22)32-19-6-4-3-5-7-19;1-2-31-21-11-14-24-23(16-21)18(8-15-25(27)28)17-26(24)33(29,30)22-12-9-20(10-13-22)32-19-6-4-3-5-7-19;1-30-19-11-12-23-22(15-19)17(10-13-24(26)27)16-25(23)32(28,29)21-9-5-8-20(14-21)31-18-6-3-2-4-7-18/h2-6,8-12,14-16,18,30H,7,13,17H2,1H3,(H,32,33);3-10,12-13,15-17H,11,14H2,1-2H3;3-7,9-14,16-17H,8,15H2,1-2H3;3-7,9-14,16-17H,2,8,15H2,1H3,(H,27,28);2-9,11-12,14-16H,10,13H2,1H3,(H,26,27)
InChIKeyJWTRSUYWJPZKQF-UHFFFAOYSA-N
MW2363.67 g/mol
LogP24.42
Rot. Bonds42

About 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

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 (PubChem CID 159046909) has the molecular formula C127H115N7O29S5 and a molecular weight of 2363.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159046909
Molecular FormulaC127H115N7O29S5
Molecular Weight2363.67 g/mol
Exact Mass2361.63
IUPAC Name3-[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
SMILESCCOc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(Oc2ccccc2)cc1.COC(=O)CCc1cn(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OC)cc12.COC(=O)CCc1cn(S(=O)(=O)c2cccc(Oc3ccccc3)c2)c2ccc(OC)cc12.COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(CNc2ccc3cccnc3c2)cc1.COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C28H25N3O5S.3C25H23NO6S.C24H21NO6S/c1-36-23-9-12-27-25(16-23)21(7-13-28(32)33)18-31(27)37(34,35)24-10-4-19(5-11-24)17-30-22-8-6-20-3-2-14-29-26(20)15-22;1-30-20-12-13-24-23(16-20)18(11-14-25(27)31-2)17-26(24)33(28,29)22-10-6-9-21(15-22)32-19-7-4-3-5-8-19;1-30-21-11-14-24-23(16-21)18(8-15-25(27)31-2)17-26(24)33(28,29)22-12-9-20(10-13-22)32-19-6-4-3-5-7-19;1-2-31-21-11-14-24-23(16-21)18(8-15-25(27)28)17-26(24)33(29,30)22-12-9-20(10-13-22)32-19-6-4-3-5-7-19;1-30-19-11-12-23-22(15-19)17(10-13-24(26)27)16-25(23)32(28,29)21-9-5-8-20(14-21)31-18-6-3-2-4-7-18/h2-6,8-12,14-16,18,30H,7,13,17H2,1H3,(H,32,33);3-10,12-13,15-17H,11,14H2,1-2H3;3-7,9-14,16-17H,8,15H2,1-2H3;3-7,9-14,16-17H,2,8,15H2,1H3,(H,27,28);2-9,11-12,14-16H,10,13H2,1H3,(H,26,27)
InChIKeyJWTRSUYWJPZKQF-UHFFFAOYSA-N
XLogP24.42
TPSA467.84 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds42
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002363.67
LogP ≤ 524.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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Related Compounds

6-ethoxy-1H-indole;3-(6-ethoxy-1H-indol-3-yl)propanoic acid;1H-indol-6-ol;methyl 3-(6-ethoxy-1H-indol-3-yl)propanoate;methyl 3-[6-ethoxy-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylindol-3-yl]propanoate;4-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 161418190
3-{5-Methoxy-1-[4-(quinolin-7-ylaminomethyl)-benzenesulfonyl]-1h-indol-3-yl}-propionic acid
CID 18449995
3-[5-Methoxy-1-[4-[(quinolin-7-ylamino)methyl]phenyl]sulfonyl-2,3-dihydroindol-3-yl]propanoic acid
CID 70985376
3-[5-Methoxy-1-[4-[(quinolin-7-ylamino)methyl]phenyl]sulfonylindol-3-yl]propanal
CID 89205335
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
3-[1-(benzenesulfonyl)-5-propan-2-yloxyindol-3-yl]propanoic acid;diethyl 2-[(5-propan-2-yloxy-1H-indol-3-yl)methyl]propanedioate;N,N-dimethyl-1-(5-propan-2-yloxy-1H-indol-3-yl)methanamine;methane;5-methyl-1H-indazole;5-propan-2-yloxy-1H-indole;3-(5-propan-2-yloxy-1H-indol-3-yl)propanoic acid
CID 159452438
3-[1-(benzenesulfonyl)-5-propan-2-yloxyindol-3-yl]propanoic acid;diethyl 2-[(5-propan-2-yloxy-1H-indol-3-yl)methyl]propanedioate;N,N-dimethyl-1-(5-propan-2-yloxy-1H-indol-3-yl)methanamine;1H-indazol-5-ol;methane;5-propan-2-yloxy-1H-indole;3-(5-propan-2-yloxy-1H-indol-3-yl)propanoic acid
CID 160148613
3-[1-(benzenesulfonyl)-5-propan-2-yloxyindol-3-yl]propanoic acid;diethyl 2-[(5-propan-2-yloxy-1H-indol-3-yl)methyl]propanedioate;N,N-dimethyl-1-(5-propan-2-yloxy-1H-indol-3-yl)methanamine;1H-indol-5-ol;methane;5-propan-2-yloxy-1H-indole;3-(5-propan-2-yloxy-1H-indol-3-yl)propanoic acid
CID 161365429
3-[1-(benzenesulfonyl)-5-propan-2-yloxyindol-3-yl]propanoic acid;diethyl 2-[(5-propan-2-yloxy-1H-indol-3-yl)methyl]propanedioate;N,N-dimethyl-1-(5-propan-2-yloxy-1H-indol-3-yl)methanamine;1H-indol-5-ol;5-propan-2-yloxy-1H-indole;3-(5-propan-2-yloxy-1H-indol-3-yl)propanoic acid
CID 162200164

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(Oc2ccccc2)cc1.COC(=O)CCc1cn(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(OC)cc12.COC(=O)CCc1cn(S(=O)(=O)c2cccc(Oc3ccccc3)c2)c2ccc(OC)cc12.COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1ccc(CNc2ccc3cccnc3c2)cc1.COc1ccc2c(c1)c(CCC(=O)O)cn2S(=O)(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is JWTRSUYWJPZKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5S.3C25H23NO6S.C24H21NO6S/c1-36-23-9-12-27-25(16-23)21(7-13-28(32)33)18-31(27)37(34,35)24-10-4-19(5-11-24)17-30-22-8-6-20-3-2-14-29-26(20)15-22;1-30-20-12-13-24-23(16-20)18(11-14-25(27)31-2)17-26(24)33(28,29)22-10-6-9-21(15-22)32-19-7-4-3-5-8-19;1-30-21-11-14-24-23(16-21)18(8-15-25(27)31-2)17-26(24)33(28,29)22-12-9-20(10-13-22)32-19-6-4-3-5-7-19;1-2-31-21-11-14-24-23(16-21)18(8-15-25(27)28)17-26(24)33(29,30)22-12-9-20(10-13-22)32-19-6-4-3-5-7-19;1-30-19-11-12-23-22(15-19)17(10-13-24(26)27)16-25(23)32(28,29)21-9-5-8-20(14-21)31-18-6-3-2-4-7-18/h2-6,8-12,14-16,18,30H,7,13,17H2,1H3,(H,32,33);3-10,12-13,15-17H,11,14H2,1-2H3;3-7,9-14,16-17H,8,15H2,1-2H3;3-7,9-14,16-17H,2,8,15H2,1H3,(H,27,28);2-9,11-12,14-16H,10,13H2,1H3,(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 2363.67 g/mol, XLogP of 24.42, 42 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159046909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).