[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate

C20H21FN2O5S — CID 8626737

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCN(CC(=O)OCC(=O)NCc1ccccc1F)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H21FN2O5S/c1-23(29(26,27)12-11-16-7-3-2-4-8-16)14-20(25)28-15-19(24)22-13-17-9-5-6-10-18(17)21/h2-12H,13-15H2,1H3,(H,22,24)/b12-11+
InChIKeyTUNAMLJFLJFGCN-VAWYXSNFSA-N
MW420.46 g/mol
LogP1.92
Rot. Bonds9

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate (PubChem CID 8626737) has the molecular formula C20H21FN2O5S and a molecular weight of 420.46 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
PubChem CID8626737
Molecular FormulaC20H21FN2O5S
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
SMILESCN(CC(=O)OCC(=O)NCc1ccccc1F)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H21FN2O5S/c1-23(29(26,27)12-11-16-7-3-2-4-8-16)14-20(25)28-15-19(24)22-13-17-9-5-6-10-18(17)21/h2-12H,13-15H2,1H3,(H,22,24)/b12-11+
InChIKeyTUNAMLJFLJFGCN-VAWYXSNFSA-N
XLogP1.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate with MolForge

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Related Compounds

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8626732
N-[(4-fluorophenyl)methyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427643
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958472
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401471
N-[(2-fluorophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604909
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579171
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35380229
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 34182625
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9429425

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate (CID 8626737) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate is CN(CC(=O)OCC(=O)NCc1ccccc1F)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
The InChIKey is TUNAMLJFLJFGCN-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H21FN2O5S/c1-23(29(26,27)12-11-16-7-3-2-4-8-16)14-20(25)28-15-19(24)22-13-17-9-5-6-10-18(17)21/h2-12H,13-15H2,1H3,(H,22,24)/b12-11+.
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate has a molecular weight of 420.46 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate is sourced from PubChem (CID 8626737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).