2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide

C16H16F2N2O3S — CID 1315348

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)20(10-12-6-3-2-4-7-12)11-15(21)19-16-13(17)8-5-9-14(16)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeySEQKSYSRQJBGRS-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 1315348) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
PubChem CID1315348
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)20(10-12-6-3-2-4-7-12)11-15(21)19-16-13(17)8-5-9-14(16)18/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeySEQKSYSRQJBGRS-UHFFFAOYSA-N
XLogP2.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide (CID 1315348) is 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is SEQKSYSRQJBGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-24(22,23)20(10-12-6-3-2-4-7-12)11-15(21)19-16-13(17)8-5-9-14(16)18/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 1315348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).