2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide

C13H19FN2O2S — CID 81191660

IUPAC2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)S(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O2S/c1-8(12(17)16-13(2,3)4)19(18)11-6-5-9(15)7-10(11)14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyLTYVVAQMBYVMHC-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.82
Rot. Bonds3

About 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide

2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide (PubChem CID 81191660) 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-tert-butylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide
PubChem CID81191660
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)S(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O2S/c1-8(12(17)16-13(2,3)4)19(18)11-6-5-9(15)7-10(11)14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeyLTYVVAQMBYVMHC-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 81192671
2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N-tert-butylpropanamide
CID 61369392
2-(2-aminophenyl)sulfinyl-N-(2-methylbutan-2-yl)propanamide
CID 61367476
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylpropanamide
CID 79141528
2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81193087
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(4-amino-2-methylphenyl)sulfinyl-N-(ethylcarbamoyl)propanamide
CID 81193311
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(4-amino-2-chlorophenyl)sulfonyl-N-tert-butylpropanamide
CID 81181976
2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide
CID 81175189

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide (CID 81191660) is 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)S(=O)c1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide?
The InChIKey is LTYVVAQMBYVMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-8(12(17)16-13(2,3)4)19(18)11-6-5-9(15)7-10(11)14/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide?
2-(4-amino-2-fluorophenyl)sulfinyl-N-tert-butylpropanamide has a molecular weight of 286.37 g/mol, XLogP of 1.82, 3 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-tert-butylpropanamide is sourced from PubChem (CID 81191660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).