N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

C16H15F3N2O3S — CID 28548467

IUPACN-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(9-11-2-4-12(17)5-3-11)10-16(22)20-15-8-13(18)6-7-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyDBIXWIWVQAEZAO-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.50
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide

N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 28548467) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID28548467
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(9-11-2-4-12(17)5-3-11)10-16(22)20-15-8-13(18)6-7-14(15)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyDBIXWIWVQAEZAO-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
CID 113151061
N-(4-chloro-2-methylphenyl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100572306
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357
N-(2,5-difluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 2575958
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 113151047
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 2223290
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2222415
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 43872024
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113150994
N-(2,4-difluorophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 21373041

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide (CID 28548467) is N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)Nc1cc(F)ccc1F)Cc1ccc(F)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is DBIXWIWVQAEZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-25(23,24)21(9-11-2-4-12(17)5-3-11)10-16(22)20-15-8-13(18)6-7-14(15)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide?
N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 372.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 28548467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).