S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate

C165H142N12O34S18 — CID 161228507

IUPACS-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)Cc2ccc(-c3ccccn3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccoc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C22H20N2O4S2.3C21H18N2O4S2.2C20H17NO5S2.2C20H17NO4S3/c1-16(25)29-14-22(26)19-9-11-20(12-10-19)24-30(27,28)15-17-5-7-18(8-6-17)21-4-2-3-13-23-21;1-15(24)28-14-21(25)18-2-6-19(7-3-18)23-29(26,27)20-8-4-16(5-9-20)17-10-12-22-13-11-17;1-15(24)28-14-21(25)17-6-10-20(11-7-17)29(26,27)23-19-8-4-16(5-9-19)18-3-2-12-22-13-18;1-15(24)28-14-21(25)17-5-9-18(10-6-17)23-29(26,27)19-11-7-16(8-12-19)20-4-2-3-13-22-20;1-14(22)27-13-20(23)16-4-8-19(9-5-16)28(24,25)21-18-6-2-15(3-7-18)17-10-11-26-12-17;1-14(22)27-13-19(23)15-4-8-17(9-5-15)21-28(24,25)18-10-6-16(7-11-18)20-3-2-12-26-20;1-14(22)27-13-20(23)16-4-8-19(9-5-16)28(24,25)21-18-6-2-15(3-7-18)17-10-11-26-12-17;1-14(22)27-13-19(23)15-4-8-17(9-5-15)21-28(24,25)18-10-6-16(7-11-18)20-3-2-12-26-20/h2-13,24H,14-15H2,1H3;3*2-13,23H,14H2,1H3;4*2-12,21H,13H2,1H3
InChIKeyUYLCCMMCFYCWME-UHFFFAOYSA-N
MW3414.21 g/mol
LogP33.96
Rot. Bonds57

About S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate

S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate (PubChem CID 161228507) has the molecular formula C165H142N12O34S18 and a molecular weight of 3414.21 g/mol. Its IUPAC name is S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate.

Molecular Properties

Compound NameS-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate
PubChem CID161228507
Molecular FormulaC165H142N12O34S18
Molecular Weight3414.21 g/mol
Exact Mass3410.47
IUPAC NameS-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate
SMILESCC(=O)SCC(=O)c1ccc(NS(=O)(=O)Cc2ccc(-c3ccccn3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccoc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccsc3)cc2)cc1
InChIInChI=1S/C22H20N2O4S2.3C21H18N2O4S2.2C20H17NO5S2.2C20H17NO4S3/c1-16(25)29-14-22(26)19-9-11-20(12-10-19)24-30(27,28)15-17-5-7-18(8-6-17)21-4-2-3-13-23-21;1-15(24)28-14-21(25)18-2-6-19(7-3-18)23-29(26,27)20-8-4-16(5-9-20)17-10-12-22-13-11-17;1-15(24)28-14-21(25)17-6-10-20(11-7-17)29(26,27)23-19-8-4-16(5-9-19)18-3-2-12-22-13-18;1-15(24)28-14-21(25)17-5-9-18(10-6-17)23-29(26,27)19-11-7-16(8-12-19)20-4-2-3-13-22-20;1-14(22)27-13-20(23)16-4-8-19(9-5-16)28(24,25)21-18-6-2-15(3-7-18)17-10-11-26-12-17;1-14(22)27-13-19(23)15-4-8-17(9-5-15)21-28(24,25)18-10-6-16(7-11-18)20-3-2-12-26-20;1-14(22)27-13-20(23)16-4-8-19(9-5-16)28(24,25)21-18-6-2-15(3-7-18)17-10-11-26-12-17;1-14(22)27-13-19(23)15-4-8-17(9-5-15)21-28(24,25)18-10-6-16(7-11-18)20-3-2-12-26-20/h2-13,24H,14-15H2,1H3;3*2-13,23H,14H2,1H3;4*2-12,21H,13H2,1H3
InChIKeyUYLCCMMCFYCWME-UHFFFAOYSA-N
XLogP33.96
TPSA720.32 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds57
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003414.21
LogP ≤ 533.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]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
N,N-bis[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]thiophene-2-sulfonamide;2-(2-cyclohexylsulfonylethyl)-4-methoxy-6-pyridin-2-ylpyridine;1-[4-[2-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)ethylsulfonyl]phenyl]ethanone;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-methylthiophene-2-sulfonamide;N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide;4-methoxy-2-pyridin-2-yl-6-(2-thiophen-2-ylsulfonylethyl)pyridine
CID 159071117
6-[2-[[[4-(Furan-2-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-pyridin-2-ylethyl-(4-thiophen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[[2-pyridin-2-ylethyl-(4-thiophen-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 157315067
6-[2-[Deuterio-[[4-(furan-2-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[[4-(furan-3-yl)benzoyl]-(2-pyridin-2-ylethyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[(4-phenylbenzoyl)-propan-2-ylamino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[2-pyridin-2-ylethyl-(4-thiophen-2-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[deuterio-[2-pyridin-2-ylethyl-(4-thiophen-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 157724099
Cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157836986
Cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158359153
cumene;2-methylpropane;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1H-pyridin-2-one
CID 158415528
Ethane;methane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
CID 158587620
1-[4-(Furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine
CID 159167692
1-Tert-butyl-4-phenylbenzene;3-tert-butyl-5-(2-phenylethyl)pyridine;3-tert-butyl-5-(2-phenylethynyl)pyridine;2-(4-tert-butylphenyl)-5-methylfuran;2-(4-tert-butylphenyl)-5-methylthiophene;2-(4-tert-butylphenyl)pyridine;3-(4-tert-butylphenyl)pyridine;2-(4-tert-butylphenyl)thiophene
CID 159386439
N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[(4-thiophen-2-ylphenyl)methyl]adamantan-1-amine;N-[(4-thiophen-3-ylphenyl)methyl]adamantan-1-amine;N-[(6-thiophen-2-yl-3-pyridinyl)methyl]adamantan-1-amine
CID 159625554
CID 159896685
CID 159896685

Frequently Asked Questions

What is the IUPAC name of S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate?
The IUPAC name of S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate (CID 161228507) is S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate.
What is the SMILES notation for S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate?
The canonical SMILES for S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate is CC(=O)SCC(=O)c1ccc(NS(=O)(=O)Cc2ccc(-c3ccccn3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)cc1.CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccncc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccoc3)cc2)cc1.CC(=O)SCC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccsc3)cc2)cc1.
What is the InChIKey of S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate?
The InChIKey is UYLCCMMCFYCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S2.3C21H18N2O4S2.2C20H17NO5S2.2C20H17NO4S3/c1-16(25)29-14-22(26)19-9-11-20(12-10-19)24-30(27,28)15-17-5-7-18(8-6-17)21-4-2-3-13-23-21;1-15(24)28-14-21(25)18-2-6-19(7-3-18)23-29(26,27)20-8-4-16(5-9-20)17-10-12-22-13-11-17;1-15(24)28-14-21(25)17-6-10-20(11-7-17)29(26,27)23-19-8-4-16(5-9-19)18-3-2-12-22-13-18;1-15(24)28-14-21(25)17-5-9-18(10-6-17)23-29(26,27)19-11-7-16(8-12-19)20-4-2-3-13-22-20;1-14(22)27-13-20(23)16-4-8-19(9-5-16)28(24,25)21-18-6-2-15(3-7-18)17-10-11-26-12-17;1-14(22)27-13-19(23)15-4-8-17(9-5-15)21-28(24,25)18-10-6-16(7-11-18)20-3-2-12-26-20;1-14(22)27-13-20(23)16-4-8-19(9-5-16)28(24,25)21-18-6-2-15(3-7-18)17-10-11-26-12-17;1-14(22)27-13-19(23)15-4-8-17(9-5-15)21-28(24,25)18-10-6-16(7-11-18)20-3-2-12-26-20/h2-13,24H,14-15H2,1H3;3*2-13,23H,14H2,1H3;4*2-12,21H,13H2,1H3.
What are the key properties of S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate?
S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate has a molecular weight of 3414.21 g/mol, XLogP of 33.96, 57 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-[4-[[4-(furan-3-yl)phenyl]sulfamoyl]phenyl]-2-oxoethyl] ethanethioate;S-[2-[4-[[4-(furan-2-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)methylsulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-pyridin-4-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-3-ylphenyl)sulfamoyl]phenyl]ethyl] ethanethioate;S-[2-oxo-2-[4-[(4-thiophen-2-ylphenyl)sulfonylamino]phenyl]ethyl] ethanethioate is sourced from PubChem (CID 161228507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).