2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide

C12H14F2N2OS — CID 66289509

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CSCC1CNC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2OS/c13-10-2-1-9(3-11(10)14)16-12(17)7-18-6-8-4-15-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyCKHHIDAVZPSDMH-UHFFFAOYSA-N
MW272.32 g/mol
LogP1.86
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 66289509) has the molecular formula C12H14F2N2OS and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
PubChem CID66289509
Molecular FormulaC12H14F2N2OS
Molecular Weight272.32 g/mol
Exact Mass272.08
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CSCC1CNC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2OS/c13-10-2-1-9(3-11(10)14)16-12(17)7-18-6-8-4-15-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyCKHHIDAVZPSDMH-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66288434
2-(azetidin-3-ylmethylsulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 66289258
2-(azetidin-3-ylmethylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66289696
2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 66290955
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(3,4-difluorophenyl)acetamide
CID 60972159
N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779390
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31087396
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)propanamide
CID 4285365
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide (CID 66289509) is 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide is O=C(CSCC1CNC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is CKHHIDAVZPSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS/c13-10-2-1-9(3-11(10)14)16-12(17)7-18-6-8-4-15-5-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 272.32 g/mol, XLogP of 1.86, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 66289509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).