2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide

C11H15FN2O3S — CID 81185383

IUPAC2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O3S/c1-17-5-4-14-11(15)7-18(16)10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyNPIFXHPRPVGOQK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.28
Rot. Bonds6

About 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide

2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide (PubChem CID 81185383) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
PubChem CID81185383
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O3S/c1-17-5-4-14-11(15)7-18(16)10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyNPIFXHPRPVGOQK-UHFFFAOYSA-N
XLogP0.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-bromophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81184227
2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 43304176
2-(2-amino-5-fluorophenyl)sulfinyl-N-(3-methylbutyl)acetamide
CID 81182738
2-(4-fluorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 63792276
2-(2-amino-4-fluorophenyl)sulfinyl-N,N-diethylacetamide
CID 81185618
2-(2-amino-4-fluorophenyl)sulfinyl-N-ethyl-N-methylacetamide
CID 81192294
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
[2-(2-methoxyethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837378
5-fluoro-2-(1-methoxypropan-2-ylsulfinyl)aniline
CID 81186024
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
CID 104568938
2-(2-amino-6-chlorophenyl)sulfinyl-N-(3-methoxypropyl)acetamide
CID 81185351

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide (CID 81185383) is 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CS(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide?
The InChIKey is NPIFXHPRPVGOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-17-5-4-14-11(15)7-18(16)10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide?
2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluorophenyl)sulfinyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 81185383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).