[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

C24H24N2O7S — CID 40843388

IUPAC[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H24N2O7S/c27-23(26-12-15-31-16-13-26)22(18-5-2-1-3-6-18)33-24(28)19-8-10-21(11-9-19)34(29,30)25-17-20-7-4-14-32-20/h1-11,14,22,25H,12-13,15-17H2/t22-/m1/s1
InChIKeyITXUXOMSNNAZRK-JOCHJYFZSA-N
MW484.53 g/mol
LogP2.52
Rot. Bonds8

About [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 40843388) has the molecular formula C24H24N2O7S and a molecular weight of 484.53 g/mol. Its IUPAC name is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID40843388
Molecular FormulaC24H24N2O7S
Molecular Weight484.53 g/mol
Exact Mass484.13
IUPAC Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H24N2O7S/c27-23(26-12-15-31-16-13-26)22(18-5-2-1-3-6-18)33-24(28)19-8-10-21(11-9-19)34(29,30)25-17-20-7-4-14-32-20/h1-11,14,22,25H,12-13,15-17H2/t22-/m1/s1
InChIKeyITXUXOMSNNAZRK-JOCHJYFZSA-N
XLogP2.52
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate with MolForge

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Related Compounds

[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663364
4-(furan-2-ylmethylsulfamoyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 27800512
[2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3533023
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4828945
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 40843388) is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is ITXUXOMSNNAZRK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N2O7S/c27-23(26-12-15-31-16-13-26)22(18-5-2-1-3-6-18)33-24(28)19-8-10-21(11-9-19)34(29,30)25-17-20-7-4-14-32-20/h1-11,14,22,25H,12-13,15-17H2/t22-/m1/s1.
What are the key properties of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate?
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 484.53 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 40843388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).