2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide

C106H100F5N13O26S2 — CID 158365382

IUPAC2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide
SMILESCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(=O)O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(F)(C(N)=O)C(F)(F)F)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(F)C(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C22H22N2O5.C21H17F4N3O4.C21H20FN3O6S.C21H21N3O6S.C21H20N2O5/c1-13-17(19(25)20(23)26)18-15(24(13)12-14-8-5-4-6-9-14)10-7-11-16(18)29-22(2,3)21(27)28;1-11-15(17(29)18(26)30)16-13(28(11)10-12-6-3-2-4-7-12)8-5-9-14(16)32-20(22,19(27)31)21(23,24)25;1-12-16(18(26)20(23)27)17-14(25(12)11-13-7-4-3-5-8-13)9-6-10-15(17)31-19(22)21(28)24-32(2,29)30;1-13-18(20(26)21(22)27)19-15(24(13)11-14-7-4-3-5-8-14)9-6-10-16(19)30-12-17(25)23-31(2,28)29;1-12-17(19(24)20(22)25)18-15(23(12)11-14-7-4-3-5-8-14)9-6-10-16(18)28-13(2)21(26)27/h4-11H,12H2,1-3H3,(H2,23,26)(H,27,28);2-9H,10H2,1H3,(H2,26,30)(H2,27,31);3-10,19H,11H2,1-2H3,(H2,23,27)(H,24,28);3-10H,11-12H2,1-2H3,(H2,22,27)(H,23,25);3-10,13H,11H2,1-2H3,(H2,22,25)(H,26,27)
InChIKeyGTYULNUFOOCUCS-UHFFFAOYSA-N
MW2131.15 g/mol
LogP10.72
Rot. Bonds37

About 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide

2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide (PubChem CID 158365382) has the molecular formula C106H100F5N13O26S2 and a molecular weight of 2131.15 g/mol. Its IUPAC name is 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound Name2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide
PubChem CID158365382
Molecular FormulaC106H100F5N13O26S2
Molecular Weight2131.15 g/mol
Exact Mass2129.63
IUPAC Name2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide
SMILESCc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(=O)O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(F)(C(N)=O)C(F)(F)F)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(F)C(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1
InChIInChI=1S/C22H22N2O5.C21H17F4N3O4.C21H20FN3O6S.C21H21N3O6S.C21H20N2O5/c1-13-17(19(25)20(23)26)18-15(24(13)12-14-8-5-4-6-9-14)10-7-11-16(18)29-22(2,3)21(27)28;1-11-15(17(29)18(26)30)16-13(28(11)10-12-6-3-2-4-7-12)8-5-9-14(16)32-20(22,19(27)31)21(23,24)25;1-12-16(18(26)20(23)27)17-14(25(12)11-13-7-4-3-5-8-13)9-6-10-15(17)31-19(22)21(28)24-32(2,29)30;1-13-18(20(26)21(22)27)19-15(24(13)11-14-7-4-3-5-8-14)9-6-10-16(19)30-12-17(25)23-31(2,28)29;1-12-17(19(24)20(22)25)18-15(23(12)11-14-7-4-3-5-8-14)9-6-10-16(18)28-13(2)21(26)27/h4-11H,12H2,1-3H3,(H2,23,26)(H,27,28);2-9H,10H2,1H3,(H2,26,30)(H2,27,31);3-10,19H,11H2,1-2H3,(H2,23,27)(H,24,28);3-10H,11-12H2,1-2H3,(H2,22,27)(H,23,25);3-10,13H,11H2,1-2H3,(H2,22,25)(H,26,27)
InChIKeyGTYULNUFOOCUCS-UHFFFAOYSA-N
XLogP10.72
TPSA615.77 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002131.15
LogP ≤ 510.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide (CID 158365382) is 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide is Cc1c(C(=O)C(N)=O)c2c(OC(C)(C)C(=O)O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(F)(C(N)=O)C(F)(F)F)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OC(F)C(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide?
The InChIKey is GTYULNUFOOCUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5.C21H17F4N3O4.C21H20FN3O6S.C21H21N3O6S.C21H20N2O5/c1-13-17(19(25)20(23)26)18-15(24(13)12-14-8-5-4-6-9-14)10-7-11-16(18)29-22(2,3)21(27)28;1-11-15(17(29)18(26)30)16-13(28(11)10-12-6-3-2-4-7-12)8-5-9-14(16)32-20(22,19(27)31)21(23,24)25;1-12-16(18(26)20(23)27)17-14(25(12)11-13-7-4-3-5-8-13)9-6-10-15(17)31-19(22)21(28)24-32(2,29)30;1-13-18(20(26)21(22)27)19-15(24(13)11-14-7-4-3-5-8-14)9-6-10-16(19)30-12-17(25)23-31(2,28)29;1-12-17(19(24)20(22)25)18-15(23(12)11-14-7-4-3-5-8-14)9-6-10-16(18)28-13(2)21(26)27/h4-11H,12H2,1-3H3,(H2,23,26)(H,27,28);2-9H,10H2,1H3,(H2,26,30)(H2,27,31);3-10,19H,11H2,1-2H3,(H2,23,27)(H,24,28);3-10H,11-12H2,1-2H3,(H2,22,27)(H,23,25);3-10,13H,11H2,1-2H3,(H2,22,25)(H,26,27).
What are the key properties of 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide?
2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide has a molecular weight of 2131.15 g/mol, XLogP of 10.72, 37 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-fluoro-N-methylsulfonylacetamide;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2-methylpropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxypropanoic acid;2-(1-benzyl-2-methyl-3-oxamoylindol-4-yl)oxy-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 158365382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).