N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide

C13H19FN2O2S — CID 61286836

IUPACN-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
SMILESCC(C)S(=O)CCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2S/c1-9(2)19(18)7-3-4-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyJPCGEZBFNNBNSF-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.28
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide

N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide (PubChem CID 61286836) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
PubChem CID61286836
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC NameN-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
SMILESCC(C)S(=O)CCCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2S/c1-9(2)19(18)7-3-4-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17)
InChIKeyJPCGEZBFNNBNSF-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.28
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-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626
N-(5-amino-2-fluorophenyl)-4-tert-butylsulfinylbutanamide
CID 61304221
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045
N-(2-amino-4-chlorophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753724
N-(5-amino-2-fluorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63659415
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748890
N-(3-amino-4-chlorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61289260
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide (CID 61286836) is N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide is CC(C)S(=O)CCCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide?
The InChIKey is JPCGEZBFNNBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9(2)19(18)7-3-4-13(17)16-12-8-10(15)5-6-11(12)14/h5-6,8-9H,3-4,7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide?
N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide has a molecular weight of 286.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide is sourced from PubChem (CID 61286836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).