N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide

C11H15FN2O4S — CID 43446239

IUPACN-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O4S/c1-18-4-5-19(16,17)7-11(15)14-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyJFXLYPFDOAYTGL-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.41
Rot. Bonds6

About N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide

N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide (PubChem CID 43446239) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
PubChem CID43446239
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C11H15FN2O4S/c1-18-4-5-19(16,17)7-11(15)14-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyJFXLYPFDOAYTGL-UHFFFAOYSA-N
XLogP0.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939
methyl 2-[3-(2-amino-4-fluoroanilino)-3-oxopropyl]sulfonylacetate
CID 43618124
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446245
N-(2-amino-4-fluorophenyl)-3-[3-methoxypropyl(methyl)amino]propanamide
CID 62983727
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(3-amino-4-chlorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446244
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide (CID 43446239) is N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide is COCCS(=O)(=O)CC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The InChIKey is JFXLYPFDOAYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-18-4-5-19(16,17)7-11(15)14-10-3-2-8(12)6-9(10)13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide?
N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide is sourced from PubChem (CID 43446239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).