[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate

C17H20N2O5S — CID 7632606

IUPAC[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
SMILESO=C(CN1CCSC1=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H20N2O5S/c20-14(12-19-8-11-25-17(19)22)24-15(13-4-2-1-3-5-13)16(21)18-6-9-23-10-7-18/h1-5,15H,6-12H2/t15-/m0/s1
InChIKeyCQVAJLDZIHGHBK-HNNXBMFYSA-N
MW364.42 g/mol
LogP1.30
Rot. Bonds5

About [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate (PubChem CID 7632606) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate.

Molecular Properties

Compound Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
PubChem CID7632606
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
SMILESO=C(CN1CCSC1=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H20N2O5S/c20-14(12-19-8-11-25-17(19)22)24-15(13-4-2-1-3-5-13)16(21)18-6-9-23-10-7-18/h1-5,15H,6-12H2/t15-/m0/s1
InChIKeyCQVAJLDZIHGHBK-HNNXBMFYSA-N
XLogP1.30
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-chlorophenyl)acetate
CID 7699782
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632441
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-(4-fluorophenoxy)acetate
CID 47009421
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
CID 45353288
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 8643190
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-benzamido-1,3-thiazol-4-yl)acetate
CID 27736090

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
The IUPAC name of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate (CID 7632606) is [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate.
What is the SMILES notation for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
The canonical SMILES for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate is O=C(CN1CCSC1=O)O[C@H](C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
The InChIKey is CQVAJLDZIHGHBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c20-14(12-19-8-11-25-17(19)22)24-15(13-4-2-1-3-5-13)16(21)18-6-9-23-10-7-18/h1-5,15H,6-12H2/t15-/m0/s1.
What are the key properties of [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate?
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate has a molecular weight of 364.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate is sourced from PubChem (CID 7632606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).