4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide

C17H18N2O3S — CID 56765970

IUPAC4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(NCc1cccs1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-16-12-22-11-15(17(21)18-9-14-7-4-8-23-14)19(16)10-13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,18,21)
InChIKeyFSVQXPLLOQLUIN-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.79
Rot. Bonds5

About 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide

4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 56765970) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide
PubChem CID56765970
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(NCc1cccs1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C17H18N2O3S/c20-16-12-22-11-15(17(21)18-9-14-7-4-8-23-14)19(16)10-13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,18,21)
InChIKeyFSVQXPLLOQLUIN-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide (CID 56765970) is 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide is O=C(NCc1cccs1)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is FSVQXPLLOQLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16-12-22-11-15(17(21)18-9-14-7-4-8-23-14)19(16)10-13-5-2-1-3-6-13/h1-8,15H,9-12H2,(H,18,21).
What are the key properties of 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-N-(thiophen-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 56765970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).