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

C15H23FN2O2S — CID 107753823

IUPACN-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
SMILESCCC(C)CS(=O)CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H23FN2O2S/c1-3-11(2)10-21(20)8-4-5-15(19)18-14-7-6-12(16)9-13(14)17/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyLNLSHMYFZUDJIW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.92
Rot. Bonds8

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

N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide (PubChem CID 107753823) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
PubChem CID107753823
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
SMILESCCC(C)CS(=O)CCCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H23FN2O2S/c1-3-11(2)10-21(20)8-4-5-15(19)18-14-7-6-12(16)9-13(14)17/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyLNLSHMYFZUDJIW-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-(2-methoxyethylsulfinyl)butanamide
CID 61288656
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-(3-amino-4-fluorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753784
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(2-amino-4-fluorophenyl)-4-cyclopentylsulfinylbutanamide
CID 63115224
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-4-[methyl(pentan-2-yl)amino]butanamide
CID 43571694
N-(2-amino-4-fluorophenyl)-3-[methyl(propan-2-yl)amino]propanamide
CID 16795601
N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide
CID 107753615
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide (CID 107753823) is N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide is CCC(C)CS(=O)CCCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide?
The InChIKey is LNLSHMYFZUDJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-3-11(2)10-21(20)8-4-5-15(19)18-14-7-6-12(16)9-13(14)17/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide?
N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide has a molecular weight of 314.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide is sourced from PubChem (CID 107753823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).