2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide

C25H32N2O3S — CID 140982823

IUPAC2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide
SMILESO=C(CN1C(=O)CC1S(=O)Cc1ccccc1)NCCCCCCCc1ccccc1
InChIInChI=1S/C25H32N2O3S/c28-23(26-17-11-3-1-2-6-12-21-13-7-4-8-14-21)19-27-24(29)18-25(27)31(30)20-22-15-9-5-10-16-22/h4-5,7-10,13-16,25H,1-3,6,11-12,17-20H2,(H,26,28)
InChIKeyVJSZHGGKPWHISO-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.80
Rot. Bonds13

About 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide

2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide (PubChem CID 140982823) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide
PubChem CID140982823
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC Name2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide
SMILESO=C(CN1C(=O)CC1S(=O)Cc1ccccc1)NCCCCCCCc1ccccc1
InChIInChI=1S/C25H32N2O3S/c28-23(26-17-11-3-1-2-6-12-21-13-7-4-8-14-21)19-27-24(29)18-25(27)31(30)20-22-15-9-5-10-16-22/h4-5,7-10,13-16,25H,1-3,6,11-12,17-20H2,(H,26,28)
InChIKeyVJSZHGGKPWHISO-UHFFFAOYSA-N
XLogP3.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-chlorophenyl)methylsulfinyl]-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
CID 19605382
2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
CID 18781952
2-(2-hexylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
CID 18781987
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
2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[6-(4-chlorophenyl)hexyl]acetamide
CID 19605277
2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
CID 70275870
4-benzylsulfinyl-1-[2-[6-(4-fluorophenyl)hexoxy]ethyl]azetidin-2-one
CID 54536292
2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(2-phenylethoxy)acetamide
CID 18781945
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
N-[2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)acetyl]-6-phenylhexanamide
CID 19605348
8-phenyloctylcarbamic acid
CID 90271205

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide?
The IUPAC name of 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide (CID 140982823) is 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide.
What is the SMILES notation for 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide?
The canonical SMILES for 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide is O=C(CN1C(=O)CC1S(=O)Cc1ccccc1)NCCCCCCCc1ccccc1.
What is the InChIKey of 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide?
The InChIKey is VJSZHGGKPWHISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c28-23(26-17-11-3-1-2-6-12-21-13-7-4-8-14-21)19-27-24(29)18-25(27)31(30)20-22-15-9-5-10-16-22/h4-5,7-10,13-16,25H,1-3,6,11-12,17-20H2,(H,26,28).
What are the key properties of 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide?
2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide has a molecular weight of 440.61 g/mol, XLogP of 3.80, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide is sourced from PubChem (CID 140982823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).