2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide

C19H28N2O2S — CID 70275870

IUPAC2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
SMILESCS[C@@H]1[C@H](C)C(=O)N1CC(=O)NCCCCCCc1ccccc1
InChIInChI=1S/C19H28N2O2S/c1-15-18(23)21(19(15)24-2)14-17(22)20-13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,15,19H,3-4,6,9-10,13-14H2,1-2H3,(H,20,22)/t15-,19-/m1/s1
InChIKeyOMOKEGXBZWOUPA-DNVCBOLYSA-N
MW348.51 g/mol
LogP3.07
Rot. Bonds10

About 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide

2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide (PubChem CID 70275870) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide.

Molecular Properties

Compound Name2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
PubChem CID70275870
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
SMILESCS[C@@H]1[C@H](C)C(=O)N1CC(=O)NCCCCCCc1ccccc1
InChIInChI=1S/C19H28N2O2S/c1-15-18(23)21(19(15)24-2)14-17(22)20-13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,15,19H,3-4,6,9-10,13-14H2,1-2H3,(H,20,22)/t15-,19-/m1/s1
InChIKeyOMOKEGXBZWOUPA-DNVCBOLYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.07
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

(3S,4R)-3-methyl-4-methylsulfanyl-1-(6-phenylhexyl)azetidin-2-one
CID 54068518
2-(2-methylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
CID 18781952
2-(2-benzylsulfinyl-4-oxoazetidin-1-yl)-N-(7-phenylheptyl)acetamide
CID 140982823
2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)-N-[6-(4-chlorophenyl)hexyl]acetamide
CID 19605277
2-(2-hexylsulfinyl-4-oxoazetidin-1-yl)-N-(6-phenylhexyl)acetamide
CID 18781987
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
8-phenyloctylcarbamic acid
CID 90271205
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
N-(3-phenylpropyl)-2-phenylsulfanylacetamide
CID 2098867
2-[2-[(4-chlorophenyl)methylsulfinyl]-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide
CID 19605382
N-(4-phenylbutyl)hexanamide
CID 4985988

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide?
The IUPAC name of 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide (CID 70275870) is 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide.
What is the SMILES notation for 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide?
The canonical SMILES for 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide is CS[C@@H]1[C@H](C)C(=O)N1CC(=O)NCCCCCCc1ccccc1.
What is the InChIKey of 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide?
The InChIKey is OMOKEGXBZWOUPA-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-15-18(23)21(19(15)24-2)14-17(22)20-13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,15,19H,3-4,6,9-10,13-14H2,1-2H3,(H,20,22)/t15-,19-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide?
2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide has a molecular weight of 348.51 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-methyl-2-methylsulfanyl-4-oxoazetidin-1-yl]-N-(6-phenylhexyl)acetamide is sourced from PubChem (CID 70275870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).