4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide

C15H20N2O5S — CID 71877839

IUPAC4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O5S/c1-23(20,21)8-7-16-15(19)13-10-22-11-14(18)17(13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,19)
InChIKeyXGVKQDXQOCTDEF-UHFFFAOYSA-N
MW340.40 g/mol
LogP-0.43
Rot. Bonds6

About 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide

4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide (PubChem CID 71877839) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
PubChem CID71877839
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
SMILESCS(=O)(=O)CCNC(=O)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H20N2O5S/c1-23(20,21)8-7-16-15(19)13-10-22-11-14(18)17(13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,19)
InChIKeyXGVKQDXQOCTDEF-UHFFFAOYSA-N
XLogP-0.43
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide (CID 71877839) is 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide is CS(=O)(=O)CCNC(=O)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide?
The InChIKey is XGVKQDXQOCTDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-23(20,21)8-7-16-15(19)13-10-22-11-14(18)17(13)9-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,19).
What are the key properties of 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide?
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).