N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide

C13H19FN2O3S — CID 61288656

IUPACN-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
SMILESCOCCS(=O)CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O3S/c1-19-6-8-20(18)7-2-3-13(17)16-12-5-4-10(14)9-11(12)15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyGEOYCWXXLNHJKN-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.52
Rot. Bonds8

About N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide

N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide (PubChem CID 61288656) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
PubChem CID61288656
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
SMILESCOCCS(=O)CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O3S/c1-19-6-8-20(18)7-2-3-13(17)16-12-5-4-10(14)9-11(12)15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyGEOYCWXXLNHJKN-UHFFFAOYSA-N
XLogP1.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
CID 107753823
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-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide
CID 63115224
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
CID 28995195
N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446239
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(4-amino-2-chlorophenyl)-3-(3-methoxypropylsulfinyl)propanamide
CID 63856685
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide (CID 61288656) is N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide is COCCS(=O)CCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide?
The InChIKey is GEOYCWXXLNHJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-19-6-8-20(18)7-2-3-13(17)16-12-5-4-10(14)9-11(12)15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide has a molecular weight of 302.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide is sourced from PubChem (CID 61288656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).