methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate

C24H24N2O8S2 — CID 24761790

IUPACmethyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1cccc(S(=O)(=O)NC(C(=O)OC)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O8S2/c1-33-23(27)21(17-10-5-3-6-11-17)25-35(29,30)19-14-9-15-20(16-19)36(31,32)26-22(24(28)34-2)18-12-7-4-8-13-18/h3-16,21-22,25-26H,1-2H3
InChIKeyJJRMHYMYNHGSFM-UHFFFAOYSA-N
MW532.60 g/mol
LogP2.07
Rot. Bonds10

About methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate

methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate (PubChem CID 24761790) has the molecular formula C24H24N2O8S2 and a molecular weight of 532.60 g/mol. Its IUPAC name is methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate
PubChem CID24761790
Molecular FormulaC24H24N2O8S2
Molecular Weight532.60 g/mol
Exact Mass532.10
IUPAC Namemethyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate
SMILESCOC(=O)C(NS(=O)(=O)c1cccc(S(=O)(=O)NC(C(=O)OC)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H24N2O8S2/c1-33-23(27)21(17-10-5-3-6-11-17)25-35(29,30)19-14-9-15-20(16-19)36(31,32)26-22(24(28)34-2)18-12-7-4-8-13-18/h3-16,21-22,25-26H,1-2H3
InChIKeyJJRMHYMYNHGSFM-UHFFFAOYSA-N
XLogP2.07
TPSA144.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate (CID 24761790) is methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate is COC(=O)C(NS(=O)(=O)c1cccc(S(=O)(=O)NC(C(=O)OC)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate?
The InChIKey is JJRMHYMYNHGSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O8S2/c1-33-23(27)21(17-10-5-3-6-11-17)25-35(29,30)19-14-9-15-20(16-19)36(31,32)26-22(24(28)34-2)18-12-7-4-8-13-18/h3-16,21-22,25-26H,1-2H3.
What are the key properties of methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate?
methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate has a molecular weight of 532.60 g/mol, XLogP of 2.07, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-methoxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]sulfonylamino]-2-phenylacetate is sourced from PubChem (CID 24761790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).