N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide

C14H21FN2O2S — CID 107753615

IUPACN-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide
SMILESCCCCCS(=O)C(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2O2S/c1-3-4-5-8-20(19)10(2)14(18)17-13-7-6-11(15)9-12(13)16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyLCUFFBVFMYHPCS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.67
Rot. Bonds7

About N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide

N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide (PubChem CID 107753615) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide
PubChem CID107753615
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide
SMILESCCCCCS(=O)C(C)C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2O2S/c1-3-4-5-8-20(19)10(2)14(18)17-13-7-6-11(15)9-12(13)16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)
InChIKeyLCUFFBVFMYHPCS-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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CID 61287849
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CID 43823331
N-(2-amino-4-fluorophenyl)-4-(2-methylbutylsulfinyl)butanamide
CID 107753823
N-(5-amino-2-methylphenyl)-2-propylsulfinylpropanamide
CID 61302835
N-(2-amino-4-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63660648
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668074
N-(5-amino-2-fluorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63659415
N-(2-amino-4-fluorophenyl)-2-butylsulfonylacetamide
CID 43615939
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CID 107751528

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide (CID 107753615) is N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide is CCCCCS(=O)C(C)C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide?
The InChIKey is LCUFFBVFMYHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-3-4-5-8-20(19)10(2)14(18)17-13-7-6-11(15)9-12(13)16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide?
N-(2-amino-4-fluorophenyl)-2-pentylsulfinylpropanamide has a molecular weight of 300.40 g/mol, XLogP of 2.67, 7 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)-2-pentylsulfinylpropanamide is sourced from PubChem (CID 107753615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).