2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

C16H14F4N2O3S — CID 113150969

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1F
InChIInChI=1S/C16H14F4N2O3S/c1-26(24,25)22(8-10-4-2-3-5-11(10)17)9-14(23)21-13-7-6-12(18)15(19)16(13)20/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyDUIMSDHXDYSMKL-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.64
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113150969) has the molecular formula C16H14F4N2O3S and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113150969
Molecular FormulaC16H14F4N2O3S
Molecular Weight390.36 g/mol
Exact Mass390.07
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1F
InChIInChI=1S/C16H14F4N2O3S/c1-26(24,25)22(8-10-4-2-3-5-11(10)17)9-14(23)21-13-7-6-12(18)15(19)16(13)20/h2-7H,8-9H2,1H3,(H,21,23)
InChIKeyDUIMSDHXDYSMKL-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150231
ethyl 3-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetyl]amino]-2-methylbenzoate
CID 100631116
2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113153366
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
2-[[2-[(2-fluorophenyl)methyl-methylamino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9034646
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516824
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 100717418
N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 133199747
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[2-(N-methylanilino)ethyl]acetamide
CID 100771196
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 100709949
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 113150969) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is DUIMSDHXDYSMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O3S/c1-26(24,25)22(8-10-4-2-3-5-11(10)17)9-14(23)21-13-7-6-12(18)15(19)16(13)20/h2-7H,8-9H2,1H3,(H,21,23).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 390.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113150969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).