N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide

C13H19FN2OS — CID 107748522

IUPACN-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
SMILESCCCCCSCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2OS/c1-2-3-4-7-18-9-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyRJWSMFPHLHMCTJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.27
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide

N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide (PubChem CID 107748522) has the molecular formula C13H19FN2OS and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
PubChem CID107748522
Molecular FormulaC13H19FN2OS
Molecular Weight270.37 g/mol
Exact Mass270.12
IUPAC NameN-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide
SMILESCCCCCSCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2OS/c1-2-3-4-7-18-9-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17)
InChIKeyRJWSMFPHLHMCTJ-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
N-(4-amino-2-methoxyphenyl)-2-pentylsulfanylacetamide
CID 107748558
methyl 2-[3-(5-amino-2-fluoroanilino)-3-oxopropyl]sulfanylacetate
CID 43617946
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-2-pentylsulfonylacetamide
CID 103805299
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-methylphenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66115840
N-(5-amino-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 29283740
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
N-(5-amino-2-fluorophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 80579114

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide (CID 107748522) is N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide is CCCCCSCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide?
The InChIKey is RJWSMFPHLHMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2OS/c1-2-3-4-7-18-9-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8H,2-4,7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide?
N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide has a molecular weight of 270.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-pentylsulfanylacetamide is sourced from PubChem (CID 107748522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).