2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide

C14H18N2O4S — CID 18781945

IUPAC2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide
SMILESCS(=O)C1CC(=O)N1CC(=O)NOCCc1ccccc1
InChIInChI=1S/C14H18N2O4S/c1-21(19)14-9-13(18)16(14)10-12(17)15-20-8-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,15,17)
InChIKeyYWBAADNGOXMXPQ-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.21
Rot. Bonds7

About 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide

2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide (PubChem CID 18781945) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide
PubChem CID18781945
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide
SMILESCS(=O)C1CC(=O)N1CC(=O)NOCCc1ccccc1
InChIInChI=1S/C14H18N2O4S/c1-21(19)14-9-13(18)16(14)10-12(17)15-20-8-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,15,17)
InChIKeyYWBAADNGOXMXPQ-UHFFFAOYSA-N
XLogP0.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide?
The IUPAC name of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide (CID 18781945) is 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide.
What is the SMILES notation for 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide?
The canonical SMILES for 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide is CS(=O)C1CC(=O)N1CC(=O)NOCCc1ccccc1.
What is the InChIKey of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide?
The InChIKey is YWBAADNGOXMXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21(19)14-9-13(18)16(14)10-12(17)15-20-8-7-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3,(H,15,17).
What are the key properties of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide?
2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide has a molecular weight of 310.37 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide is sourced from PubChem (CID 18781945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).