2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide

C11H15FN2O2S — CID 81192294

IUPAC2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2S/c1-3-14(2)11(15)7-17(16)10-5-4-8(12)6-9(10)13/h4-6H,3,7,13H2,1-2H3
InChIKeyYSKOKUXJDROILQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.99
Rot. Bonds4

About 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide

2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide (PubChem CID 81192294) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
PubChem CID81192294
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O2S/c1-3-14(2)11(15)7-17(16)10-5-4-8(12)6-9(10)13/h4-6H,3,7,13H2,1-2H3
InChIKeyYSKOKUXJDROILQ-UHFFFAOYSA-N
XLogP0.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide
CID 81185618
2-(5-amino-2-chlorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81207763
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
2-(3-amino-2-methylphenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81190292
N-(3-aminopropyl)-2-(2,5-difluorophenyl)sulfinyl-N-methylacetamide
CID 81328265
2-[(4-ethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81186273
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropyl-N-methylacetamide
CID 81176174
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81185383
5-fluoro-2-[(5-fluoro-2-methylphenyl)methylsulfinyl]aniline
CID 105376341
1-(2,4-difluorophenyl)sulfinylpropan-2-one
CID 64641314
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-amino-4-fluorobenzenesulfinate
CID 174459431

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide (CID 81192294) is 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide is CCN(C)C(=O)CS(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
The InChIKey is YSKOKUXJDROILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-3-14(2)11(15)7-17(16)10-5-4-8(12)6-9(10)13/h4-6H,3,7,13H2,1-2H3.
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide?
2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide has a molecular weight of 258.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81192294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).