2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide

C16H16F2N2O3S — CID 113154680

IUPAC2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)20(15-9-5-4-8-14(15)18)11-16(21)19-10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyPIKDWVPJPVFABI-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.05
Rot. Bonds6

About 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113154680) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113154680
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1F)c1ccccc1F
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)20(15-9-5-4-8-14(15)18)11-16(21)19-10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyPIKDWVPJPVFABI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113156780
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113152857
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
2-(2,6-difluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113157590
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
N-[(2-fluorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151835
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113154876
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide (CID 113154680) is 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1F)c1ccccc1F.
What is the InChIKey of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is PIKDWVPJPVFABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-24(22,23)20(15-9-5-4-8-14(15)18)11-16(21)19-10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 354.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113154680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).