N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide

C13H17FN2O2S — CID 62995341

IUPACN-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CSC1CCOCC1
InChIInChI=1S/C13H17FN2O2S/c14-9-1-2-11(15)12(7-9)16-13(17)8-19-10-3-5-18-6-4-10/h1-2,7,10H,3-6,8,15H2,(H,16,17)
InChIKeyXFGZBISEYSRFTH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.26
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide

N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide (PubChem CID 62995341) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide
PubChem CID62995341
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CSC1CCOCC1
InChIInChI=1S/C13H17FN2O2S/c14-9-1-2-11(15)12(7-9)16-13(17)8-19-10-3-5-18-6-4-10/h1-2,7,10H,3-6,8,15H2,(H,16,17)
InChIKeyXFGZBISEYSRFTH-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfinyl)acetamide
CID 62995762
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(5-fluoro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627881
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
N-(2-amino-5-fluorophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63256940
N-(2-amino-5-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43612167
1-(3-fluorophenyl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997006
N-(2,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 110863603
ethyl 2-[2-(2-amino-5-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 43628684

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide (CID 62995341) is N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide is Nc1ccc(F)cc1NC(=O)CSC1CCOCC1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide?
The InChIKey is XFGZBISEYSRFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c14-9-1-2-11(15)12(7-9)16-13(17)8-19-10-3-5-18-6-4-10/h1-2,7,10H,3-6,8,15H2,(H,16,17).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide is sourced from PubChem (CID 62995341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).