2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide

C14H19FN2O4S — CID 4596619

IUPAC2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C14H19FN2O4S/c1-9-4-5-11(15)8-13(9)17-14(19)12(16-10(2)18)6-7-22(3,20)21/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVEUVBHCFTFRASV-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.01
Rot. Bonds6

About 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide

2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide (PubChem CID 4596619) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide
PubChem CID4596619
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C14H19FN2O4S/c1-9-4-5-11(15)8-13(9)17-14(19)12(16-10(2)18)6-7-22(3,20)21/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVEUVBHCFTFRASV-UHFFFAOYSA-N
XLogP1.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide (CID 4596619) is 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide is CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide?
The InChIKey is VEUVBHCFTFRASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-9-4-5-11(15)8-13(9)17-14(19)12(16-10(2)18)6-7-22(3,20)21/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide?
2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide has a molecular weight of 330.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(5-fluoro-2-methylphenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 4596619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).