2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide

C11H15FN2OS — CID 118561569

IUPAC2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide
SMILESCc1cc(F)c(N)cc1SCC(=O)N(C)C
InChIInChI=1S/C11H15FN2OS/c1-7-4-8(12)9(13)5-10(7)16-6-11(15)14(2)3/h4-5H,6,13H2,1-3H3
InChIKeyQUAHVNDCOKCBIM-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.90
Rot. Bonds3

About 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide

2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide (PubChem CID 118561569) has the molecular formula C11H15FN2OS and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide
PubChem CID118561569
Molecular FormulaC11H15FN2OS
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide
SMILESCc1cc(F)c(N)cc1SCC(=O)N(C)C
InChIInChI=1S/C11H15FN2OS/c1-7-4-8(12)9(13)5-10(7)16-6-11(15)14(2)3/h4-5H,6,13H2,1-3H3
InChIKeyQUAHVNDCOKCBIM-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide?
The IUPAC name of 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide (CID 118561569) is 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide is Cc1cc(F)c(N)cc1SCC(=O)N(C)C.
What is the InChIKey of 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide?
The InChIKey is QUAHVNDCOKCBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2OS/c1-7-4-8(12)9(13)5-10(7)16-6-11(15)14(2)3/h4-5H,6,13H2,1-3H3.
What are the key properties of 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide?
2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide has a molecular weight of 242.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-fluoro-2-methylphenyl)sulfanyl-N,N-dimethylacetamide is sourced from PubChem (CID 118561569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).