2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide

C13H16F2N2O4S — CID 5113243

IUPAC2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O4S/c1-8(18)16-12(5-6-22(2,20)21)13(19)17-11-4-3-9(14)7-10(11)15/h3-4,7,12H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOQFSAFUIHLHQDP-UHFFFAOYSA-N
MW334.34 g/mol
LogP0.84
Rot. Bonds6

About 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide

2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide (PubChem CID 5113243) has the molecular formula C13H16F2N2O4S and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide
PubChem CID5113243
Molecular FormulaC13H16F2N2O4S
Molecular Weight334.34 g/mol
Exact Mass334.08
IUPAC Name2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O4S/c1-8(18)16-12(5-6-22(2,20)21)13(19)17-11-4-3-9(14)7-10(11)15/h3-4,7,12H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOQFSAFUIHLHQDP-UHFFFAOYSA-N
XLogP0.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide (CID 5113243) is 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide is CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide?
The InChIKey is OQFSAFUIHLHQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4S/c1-8(18)16-12(5-6-22(2,20)21)13(19)17-11-4-3-9(14)7-10(11)15/h3-4,7,12H,5-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide?
2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide has a molecular weight of 334.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2,4-difluorophenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 5113243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).