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

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Related Compounds

2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
AZ12260493
CID 11655079
2-(4-(4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017731
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 848402
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
2-(Cyclohexyl-methanesulfonyl-amino)-N-(2,4-difluoro-phenyl)-acetamide
CID 954246
N~2~-cyclohexyl-N~1~-(2-fluorophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 964121
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2099416

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).