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

C15H15FN2O2S — CID 81191461

IUPAC2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C15H15FN2O2S/c1-10-2-4-11(5-3-10)18-15(19)9-21(20)12-6-7-14(17)13(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyUZPKSMFHZAVTCA-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.46
Rot. Bonds4

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

2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide (PubChem CID 81191461) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide
PubChem CID81191461
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C15H15FN2O2S/c1-10-2-4-11(5-3-10)18-15(19)9-21(20)12-6-7-14(17)13(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyUZPKSMFHZAVTCA-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-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
CID 81190581
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
2-fluoro-4-(methoxymethylsulfinyl)aniline
CID 81191003
2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
CID 97340010
2-fluoro-4-pentylsulfinylaniline
CID 81190922
2-[(R)-(3-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 71283163
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
2-(3-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 71283134
4-(2,2-difluoroethylsulfinyl)-2-fluoroaniline
CID 81190420
2-[2-(4-methylanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 54883354

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide (CID 81191461) is 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)c2ccc(N)c(F)c2)cc1.
What is the InChIKey of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
The InChIKey is UZPKSMFHZAVTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-10-2-4-11(5-3-10)18-15(19)9-21(20)12-6-7-14(17)13(16)8-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-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-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 81191461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).