N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide

C9H10FNOS — CID 66776531

IUPACN-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide
SMILESCC(=O)Nc1cc(S)c(C)cc1F
InChIInChI=1S/C9H10FNOS/c1-5-3-7(10)8(4-9(5)13)11-6(2)12/h3-4,13H,1-2H3,(H,11,12)
InChIKeyDAFDIZAYPAPTTJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.38
Rot. Bonds1

About N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide

N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide (PubChem CID 66776531) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide
PubChem CID66776531
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC NameN-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide
SMILESCC(=O)Nc1cc(S)c(C)cc1F
InChIInChI=1S/C9H10FNOS/c1-5-3-7(10)8(4-9(5)13)11-6(2)12/h3-4,13H,1-2H3,(H,11,12)
InChIKeyDAFDIZAYPAPTTJ-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide?
The IUPAC name of N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide (CID 66776531) is N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide is CC(=O)Nc1cc(S)c(C)cc1F.
What is the InChIKey of N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide?
The InChIKey is DAFDIZAYPAPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-5-3-7(10)8(4-9(5)13)11-6(2)12/h3-4,13H,1-2H3,(H,11,12).
What are the key properties of N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide?
N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide has a molecular weight of 199.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methyl-5-sulfanylphenyl)acetamide is sourced from PubChem (CID 66776531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).