2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide

C18H17F3N2O4S — CID 17466670

IUPAC2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17F3N2O4S/c1-23(28(25,26)12-11-14-7-3-2-4-8-14)13-17(24)22-15-9-5-6-10-16(15)27-18(19,20)21/h2-12H,13H2,1H3,(H,22,24)/b12-11+
InChIKeyVZLBTYYDIMJGAS-VAWYXSNFSA-N
MW414.41 g/mol
LogP3.46
Rot. Bonds7

About 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 17466670) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID17466670
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H17F3N2O4S/c1-23(28(25,26)12-11-14-7-3-2-4-8-14)13-17(24)22-15-9-5-6-10-16(15)27-18(19,20)21/h2-12H,13H2,1H3,(H,22,24)/b12-11+
InChIKeyVZLBTYYDIMJGAS-VAWYXSNFSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-phenyl-N-[2-(trifluoromethoxy)phenyl]ethenesulfonamide
CID 25335043
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 78665804
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
6-oxo-6-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 43529543
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 8850309
N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 55698968
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8626732
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958472

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide (CID 17466670) is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide is CN(CC(=O)Nc1ccccc1OC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is VZLBTYYDIMJGAS-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c1-23(28(25,26)12-11-14-7-3-2-4-8-14)13-17(24)22-15-9-5-6-10-16(15)27-18(19,20)21/h2-12H,13H2,1H3,(H,22,24)/b12-11+.
What are the key properties of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide?
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 414.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 17466670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).