[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate

C27H27NO8S — CID 2465865

IUPAC[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C27H27NO8S/c1-33-23-18-21(37(31,32)28-13-15-35-16-14-28)17-22(26(23)34-2)27(30)36-25(20-11-7-4-8-12-20)24(29)19-9-5-3-6-10-19/h3-12,17-18,25H,13-16H2,1-2H3/t25-/m1/s1
InChIKeyOIYZZMUDKODWEN-RUZDIDTESA-N
MW525.58 g/mol
LogP3.51
Rot. Bonds9

About [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate

[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2465865) has the molecular formula C27H27NO8S and a molecular weight of 525.58 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2465865
Molecular FormulaC27H27NO8S
Molecular Weight525.58 g/mol
Exact Mass525.15
IUPAC Name[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1OC
InChIInChI=1S/C27H27NO8S/c1-33-23-18-21(37(31,32)28-13-15-35-16-14-28)17-22(26(23)34-2)27(30)36-25(20-11-7-4-8-12-20)24(29)19-9-5-3-6-10-19/h3-12,17-18,25H,13-16H2,1-2H3/t25-/m1/s1
InChIKeyOIYZZMUDKODWEN-RUZDIDTESA-N
XLogP3.51
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.58
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-phenylpropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 40613858
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2448565
N'-(4-fluorobenzoyl)-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzohydrazide
CID 43005968
[(1S)-2-oxo-1,2-diphenylethyl] 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 25398309
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
[(1S)-2-oxo-1,2-diphenylethyl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 51695432
N-[2-(diethylamino)propyl]-2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55676114
[(1R)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] furan-3-carboxylate
CID 26985381
[(1S)-2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 98386271
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxo-1-phenylethyl] 2-nitrobenzoate
CID 3628990
(3-morpholin-4-ylsulfonylphenyl)methyl 2-methoxybenzoate
CID 7811749
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate (CID 2465865) is [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate is COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1OC.
What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is OIYZZMUDKODWEN-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27NO8S/c1-33-23-18-21(37(31,32)28-13-15-35-16-14-28)17-22(26(23)34-2)27(30)36-25(20-11-7-4-8-12-20)24(29)19-9-5-3-6-10-19/h3-12,17-18,25H,13-16H2,1-2H3/t25-/m1/s1.
What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate?
[(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 525.58 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1,2-diphenylethyl] 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2465865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).