2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide

C13H19FN2O2S — CID 81191932

IUPAC2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O2S/c1-3-4-9(2)16-13(17)8-19(18)12-6-5-10(15)7-11(12)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyXIVNMNUXWVFRPY-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide

2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide (PubChem CID 81191932) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
PubChem CID81191932
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CS(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O2S/c1-3-4-9(2)16-13(17)8-19(18)12-6-5-10(15)7-11(12)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyXIVNMNUXWVFRPY-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 63791234
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 81192671
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide
CID 82833724
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
CID 81184637
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
2-(4-amino-2-fluorophenyl)sulfinyl-N-(2-cyanoethyl)acetamide
CID 81192164
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-bromophenyl)acetamide
CID 81184638
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 61360215
2-(4-amino-2-fluorophenyl)sulfinyl-1-(4-methylpiperazin-1-yl)ethanone
CID 81191414
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide (CID 81191932) is 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CS(=O)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
The InChIKey is XIVNMNUXWVFRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-3-4-9(2)16-13(17)8-19(18)12-6-5-10(15)7-11(12)14/h5-7,9H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide?
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide has a molecular weight of 286.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 81191932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).