2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide

C12H15FN2OS — CID 66288434

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CSCC1CNC1)Nc1ccccc1F
InChIInChI=1S/C12H15FN2OS/c13-10-3-1-2-4-11(10)15-12(16)8-17-7-9-5-14-6-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyFBQVDZMZTFOMME-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.72
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide (PubChem CID 66288434) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
PubChem CID66288434
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CSCC1CNC1)Nc1ccccc1F
InChIInChI=1S/C12H15FN2OS/c13-10-3-1-2-4-11(10)15-12(16)8-17-7-9-5-14-6-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyFBQVDZMZTFOMME-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 66289258
N-(2-acetylphenyl)-2-(azetidin-3-ylmethylsulfanyl)acetamide
CID 66288630
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66289696
N-[2-(azetidin-3-ylmethylsulfanyl)acetyl]-2-phenylacetamide
CID 66289888
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 120663957
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide
CID 82182065
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
CID 120663779

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide (CID 66288434) is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide is O=C(CSCC1CNC1)Nc1ccccc1F.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide?
The InChIKey is FBQVDZMZTFOMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-10-3-1-2-4-11(10)15-12(16)8-17-7-9-5-14-6-9/h1-4,9,14H,5-8H2,(H,15,16).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 66288434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).