S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate

C140H131F6N19O34S15 — CID 157486394

IUPACS-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(N(CCN2CCCC2)S(=O)(=O)c2coc(-c3ccon3)c2)cc1.CC(=O)SCC(=O)c1ccc(N(CCO)S(=O)(=O)c2coc(C3=CC=NC3)c2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccn(C)c3)nc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2cnc(-c3ccoc3)c(C(F)(F)F)c2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2coc(-c3ccnn3C)c2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccnn3C)n(C)c2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cscc3C(F)(F)F)nc2)cc1
InChIInChI=1S/C23H25N3O6S2.C20H15F3N2O5S2.C20H15F3N2O4S3.C20H19N3O4S2.C20H20N2O6S2.C19H20N4O4S2.C18H17N3O5S2/c1-17(27)33-16-22(28)18-4-6-19(7-5-18)26(12-11-25-9-2-3-10-25)34(29,30)20-14-23(31-15-20)21-8-13-32-24-21;1-12(26)31-11-18(27)13-2-4-15(5-3-13)25-32(28,29)16-8-17(20(21,22)23)19(24-9-16)14-6-7-30-10-14;1-12(26)31-11-19(27)13-2-5-15(6-3-13)32(28,29)25-14-4-7-18(24-8-14)16-9-30-10-17(16)20(21,22)23;1-14(24)28-13-20(25)15-3-5-17(6-4-15)22-29(26,27)18-7-8-19(21-11-18)16-9-10-23(2)12-16;1-14(24)29-13-19(25)15-2-4-17(5-3-15)22(8-9-23)30(26,27)18-10-20(28-12-18)16-6-7-21-11-16;1-13(24)28-12-19(25)14-4-6-16(7-5-14)29(26,27)21-15-10-18(22(2)11-15)17-8-9-20-23(17)3;1-12(22)27-11-17(23)13-3-5-14(6-4-13)20-28(24,25)15-9-18(26-10-15)16-7-8-19-21(16)2/h4-8,13-15H,2-3,9-12,16H2,1H3;2*2-10,25H,11H2,1H3;3-12,22H,13H2,1-2H3;2-7,10,12,23H,8-9,11,13H2,1H3;4-11,21H,12H2,1-3H3;3-10,20H,11H2,1-2H3
InChIKeyBWTKTGDLNXJEOL-UHFFFAOYSA-N
MW3218.68 g/mol
LogP24.78
Rot. Bonds54

About S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate

S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate (PubChem CID 157486394) has the molecular formula C140H131F6N19O34S15 and a molecular weight of 3218.68 g/mol. Its IUPAC name is S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate
PubChem CID157486394
Molecular FormulaC140H131F6N19O34S15
Molecular Weight3218.68 g/mol
Exact Mass3215.48
IUPAC NameS-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(N(CCN2CCCC2)S(=O)(=O)c2coc(-c3ccon3)c2)cc1.CC(=O)SCC(=O)c1ccc(N(CCO)S(=O)(=O)c2coc(C3=CC=NC3)c2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccn(C)c3)nc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2cnc(-c3ccoc3)c(C(F)(F)F)c2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2coc(-c3ccnn3C)c2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccnn3C)n(C)c2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cscc3C(F)(F)F)nc2)cc1
InChIInChI=1S/C23H25N3O6S2.C20H15F3N2O5S2.C20H15F3N2O4S3.C20H19N3O4S2.C20H20N2O6S2.C19H20N4O4S2.C18H17N3O5S2/c1-17(27)33-16-22(28)18-4-6-19(7-5-18)26(12-11-25-9-2-3-10-25)34(29,30)20-14-23(31-15-20)21-8-13-32-24-21;1-12(26)31-11-18(27)13-2-4-15(5-3-13)25-32(28,29)16-8-17(20(21,22)23)19(24-9-16)14-6-7-30-10-14;1-12(26)31-11-19(27)13-2-5-15(6-3-13)32(28,29)25-14-4-7-18(24-8-14)16-9-30-10-17(16)20(21,22)23;1-14(24)28-13-20(25)15-3-5-17(6-4-15)22-29(26,27)18-7-8-19(21-11-18)16-9-10-23(2)12-16;1-14(24)29-13-19(25)15-2-4-17(5-3-15)22(8-9-23)30(26,27)18-10-20(28-12-18)16-6-7-21-11-16;1-13(24)28-12-19(25)14-4-6-16(7-5-14)29(26,27)21-15-10-18(22(2)11-15)17-8-9-20-23(17)3;1-12(22)27-11-17(23)13-3-5-14(6-4-13)20-28(24,25)15-9-18(26-10-15)16-7-8-19-21(16)2/h4-8,13-15H,2-3,9-12,16H2,1H3;2*2-10,25H,11H2,1H3;3-12,22H,13H2,1-2H3;2-7,10,12,23H,8-9,11,13H2,1H3;4-11,21H,12H2,1-3H3;3-10,20H,11H2,1-2H3
InChIKeyBWTKTGDLNXJEOL-UHFFFAOYSA-N
XLogP24.78
TPSA743.18 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds54
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003218.68
LogP ≤ 524.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate with MolForge

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Related Compounds

S-[2-[4-[[1-methyl-5-[5-(trifluoromethyl)thiophen-2-yl]pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[5-pyridin-2-yl-2-(trifluoromethyl)thiophen-3-yl]sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[[5-[4-(trifluoromethyl)-2-pyridinyl]furan-3-yl]sulfonylamino]phenyl]ethyl] ethanethioate
CID 158259296
ethane;3-(furan-2-yl)-1,2-oxazole;5-(furan-2-yl)-1H-pyrazole;2-(furan-2-yl)pyridine;2-(furan-3-yl)pyridine;3-(furan-2-yl)-1H-pyrrole;3-(furan-2-yl)-2H-pyrrole;2-pyridin-2-ylpyridine;bis(2-pyridin-3-ylpyridine);2-pyridin-4-ylpyridine;3-(1H-pyrrol-2-yl)-1,2-oxazole;3-(2H-pyrrol-3-yl)-1,2-oxazole;5-(1H-pyrrol-2-yl)-1H-pyrazole;5-(2H-pyrrol-3-yl)-1H-pyrazole;2-(1H-pyrrol-3-yl)pyridine;bis(3-thiophen-2-yl-1,2-oxazole);bis(5-thiophen-2-yl-1H-pyrazole);2-thiophen-2-ylpyridine;2-thiophen-3-ylpyridine;3-thiophen-3-ylpyridine;3-thiophen-2-yl-1H-pyrrole;3-thiophen-2-yl-2H-pyrrole
CID 160890983

Frequently Asked Questions

What is the IUPAC name of S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate?
The IUPAC name of S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate (CID 157486394) is S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate?
The canonical SMILES for S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate is CC(=O)SCC(=O)c1ccc(N(CCN2CCCC2)S(=O)(=O)c2coc(-c3ccon3)c2)cc1.CC(=O)SCC(=O)c1ccc(N(CCO)S(=O)(=O)c2coc(C3=CC=NC3)c2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccn(C)c3)nc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2cnc(-c3ccoc3)c(C(F)(F)F)c2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2coc(-c3ccnn3C)c2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccnn3C)n(C)c2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cscc3C(F)(F)F)nc2)cc1.
What is the InChIKey of S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate?
The InChIKey is BWTKTGDLNXJEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S2.C20H15F3N2O5S2.C20H15F3N2O4S3.C20H19N3O4S2.C20H20N2O6S2.C19H20N4O4S2.C18H17N3O5S2/c1-17(27)33-16-22(28)18-4-6-19(7-5-18)26(12-11-25-9-2-3-10-25)34(29,30)20-14-23(31-15-20)21-8-13-32-24-21;1-12(26)31-11-18(27)13-2-4-15(5-3-13)25-32(28,29)16-8-17(20(21,22)23)19(24-9-16)14-6-7-30-10-14;1-12(26)31-11-19(27)13-2-5-15(6-3-13)32(28,29)25-14-4-7-18(24-8-14)16-9-30-10-17(16)20(21,22)23;1-14(24)28-13-20(25)15-3-5-17(6-4-15)22-29(26,27)18-7-8-19(21-11-18)16-9-10-23(2)12-16;1-14(24)29-13-19(25)15-2-4-17(5-3-15)22(8-9-23)30(26,27)18-10-20(28-12-18)16-6-7-21-11-16;1-13(24)28-12-19(25)14-4-6-16(7-5-14)29(26,27)21-15-10-18(22(2)11-15)17-8-9-20-23(17)3;1-12(22)27-11-17(23)13-3-5-14(6-4-13)20-28(24,25)15-9-18(26-10-15)16-7-8-19-21(16)2/h4-8,13-15H,2-3,9-12,16H2,1H3;2*2-10,25H,11H2,1H3;3-12,22H,13H2,1-2H3;2-7,10,12,23H,8-9,11,13H2,1H3;4-11,21H,12H2,1-3H3;3-10,20H,11H2,1-2H3.
What are the key properties of S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate?
S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate has a molecular weight of 3218.68 g/mol, XLogP of 24.78, 54 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[4-[[6-(furan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[2-hydroxyethyl-[5-(2H-pyrrol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[1-methyl-5-(2-methylpyrazol-3-yl)pyrrol-3-yl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(2-methylpyrazol-3-yl)furan-3-yl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[6-(1-methylpyrrol-3-yl)-3-pyridinyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[5-(1,2-oxazol-3-yl)furan-3-yl]sulfonyl-(2-pyrrolidin-1-ylethyl)amino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[[6-[4-(trifluoromethyl)thiophen-3-yl]-3-pyridinyl]sulfamoyl]phenyl]ethyl] ethanethioate is sourced from PubChem (CID 157486394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).