[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate

C20H21NO4S — CID 8913443

IUPAC[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
SMILESCSc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4S/c1-26-17-9-7-16(8-10-17)20(23)25-18(15-5-3-2-4-6-15)19(22)21-11-13-24-14-12-21/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyYAIPMZMKDWNMRZ-GOSISDBHSA-N
MW371.46 g/mol
LogP3.17
Rot. Bonds5

About [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate (PubChem CID 8913443) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate.

Molecular Properties

Compound Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
PubChem CID8913443
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
SMILESCSc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H21NO4S/c1-26-17-9-7-16(8-10-17)20(23)25-18(15-5-3-2-4-6-15)19(22)21-11-13-24-14-12-21/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyYAIPMZMKDWNMRZ-GOSISDBHSA-N
XLogP3.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8641086
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-(methoxymethyl)benzoate
CID 18199494
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7705762
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 43031541
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-cyanobenzoate
CID 18199101
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-amino-3-nitrobenzoate
CID 7602121
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate?
The IUPAC name of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate (CID 8913443) is [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate.
What is the SMILES notation for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate?
The canonical SMILES for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate is CSc1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate?
The InChIKey is YAIPMZMKDWNMRZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-26-17-9-7-16(8-10-17)20(23)25-18(15-5-3-2-4-6-15)19(22)21-11-13-24-14-12-21/h2-10,18H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate?
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate has a molecular weight of 371.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate is sourced from PubChem (CID 8913443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).