2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide

C18H26N2O3S — CID 18781952

IUPAC2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
SMILESCS(=O)C1CC(=O)N1CC(=O)NCCCCCCc1ccccc1
InChIInChI=1S/C18H26N2O3S/c1-24(23)18-13-17(22)20(18)14-16(21)19-12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,18H,2-3,5,8-9,12-14H2,1H3,(H,19,21)
InChIKeyBQFSQSCMIWPQDL-UHFFFAOYSA-N
MW350.48 g/mol
LogP1.84
Rot. Bonds10

About 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide

2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide (PubChem CID 18781952) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide.

Molecular Properties

Compound Name2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
PubChem CID18781952
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
SMILESCS(=O)C1CC(=O)N1CC(=O)NCCCCCCc1ccccc1
InChIInChI=1S/C18H26N2O3S/c1-24(23)18-13-17(22)20(18)14-16(21)19-12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,18H,2-3,5,8-9,12-14H2,1H3,(H,19,21)
InChIKeyBQFSQSCMIWPQDL-UHFFFAOYSA-N
XLogP1.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide
CID 140982823
2-(2-hexylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
CID 18781987
2-[2-[(4-chlorophenyl)methylsulfinyl]-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
CID 19605382
2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide
CID 18781945
2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
CID 70275870
2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[6-(4-chlorophenyl)hexyl]acetamide
CID 19605277
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
2-[(2R,3S)-2-[(S)-benzylsulfinyl]-3-chloro-4-oxoazetidin-1-yl]-N-[6-(4-fluorophenyl)hexyl]acetamide
CID 67587375
2-[(2R,3S)-2-benzylsulfinyl-3-chloro-4-oxoazetidin-1-yl]-N-[6-(4-fluorophenyl)hexyl]acetamide
CID 67586670
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-(4-phenylbutyl)urea
CID 108876718
8-phenyloctylcarbamic acid
CID 90271205
N-[6-(4-fluorophenyl)hexyl]-2-[2-[(4-methoxyphenyl)methylsulfanyl]-4-oxoazetidin-1-yl]acetamide
CID 19605386

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide?
The IUPAC name of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide (CID 18781952) is 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide.
What is the SMILES notation for 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide?
The canonical SMILES for 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide is CS(=O)C1CC(=O)N1CC(=O)NCCCCCCc1ccccc1.
What is the InChIKey of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide?
The InChIKey is BQFSQSCMIWPQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-24(23)18-13-17(22)20(18)14-16(21)19-12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,18H,2-3,5,8-9,12-14H2,1H3,(H,19,21).
What are the key properties of 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide?
2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide has a molecular weight of 350.48 g/mol, XLogP of 1.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide is sourced from PubChem (CID 18781952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).