N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide

C15H15FN2O2S — CID 61302033

IUPACN-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
SMILESCc1ccc(N)cc1NC(=O)CS(=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c1-10-6-7-11(17)8-13(10)18-15(19)9-21(20)14-5-3-2-4-12(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQZCPIXAJFGSFSL-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.46
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide

N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide (PubChem CID 61302033) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
PubChem CID61302033
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
SMILESCc1ccc(N)cc1NC(=O)CS(=O)c1ccccc1F
InChIInChI=1S/C15H15FN2O2S/c1-10-6-7-11(17)8-13(10)18-15(19)9-21(20)14-5-3-2-4-12(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQZCPIXAJFGSFSL-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.46
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

N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide
CID 114231835
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
2-(2-amino-3-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81188078
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
CID 81184637
N-(5-amino-2-methylphenyl)-4,4-dimethylpentanamide;hydrochloride
CID 120569223
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide (CID 61302033) is N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide is Cc1ccc(N)cc1NC(=O)CS(=O)c1ccccc1F.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide?
The InChIKey is QZCPIXAJFGSFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-6-7-11(17)8-13(10)18-15(19)9-21(20)14-5-3-2-4-12(14)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide?
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide has a molecular weight of 306.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide is sourced from PubChem (CID 61302033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).