2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide

C15H15FN2O2S — CID 81184637

IUPAC2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C15H15FN2O2S/c1-10-3-2-4-12(7-10)18-15(19)9-21(20)14-6-5-11(17)8-13(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNUZPJQQBHVDQKS-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide

2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide (PubChem CID 81184637) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
PubChem CID81184637
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C15H15FN2O2S/c1-10-3-2-4-12(7-10)18-15(19)9-21(20)14-6-5-11(17)8-13(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNUZPJQQBHVDQKS-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

2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-bromophenyl)acetamide
CID 81184638
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
N-(3-methylphenyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487504
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide (CID 81184637) is 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CS(=O)c2ccc(N)cc2F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide?
The InChIKey is NUZPJQQBHVDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-3-2-4-12(7-10)18-15(19)9-21(20)14-6-5-11(17)8-13(14)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide?
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide 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 2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 81184637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).