2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide

C13H19FN2O3S — CID 43708240

IUPAC2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-8(2)6-11(15)13(17)16-12-7-9(20(3,18)19)4-5-10(12)14/h4-5,7-8,11H,6,15H2,1-3H3,(H,16,17)
InChIKeyIZRIKUYEEAGROU-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.54
Rot. Bonds5

About 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide

2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide (PubChem CID 43708240) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide
PubChem CID43708240
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-8(2)6-11(15)13(17)16-12-7-9(20(3,18)19)4-5-10(12)14/h4-5,7-8,11H,6,15H2,1-3H3,(H,16,17)
InChIKeyIZRIKUYEEAGROU-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide (CID 43708240) is 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1cc(S(C)(=O)=O)ccc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide?
The InChIKey is IZRIKUYEEAGROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-8(2)6-11(15)13(17)16-12-7-9(20(3,18)19)4-5-10(12)14/h4-5,7-8,11H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide?
2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide has a molecular weight of 302.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-5-methylsulfonylphenyl)-4-methylpentanamide is sourced from PubChem (CID 43708240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).