N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

C11H12F3NO4S — CID 47568031

IUPACN-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCS(=O)(=O)NC(=O)C(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO4S/c1-20(17,18)15-10(16)9(19-7-11(12,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,16)
InChIKeyJBAKJTMDKAQDKR-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.38
Rot. Bonds5

About N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 47568031) has the molecular formula C11H12F3NO4S and a molecular weight of 311.28 g/mol. Its IUPAC name is N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID47568031
Molecular FormulaC11H12F3NO4S
Molecular Weight311.28 g/mol
Exact Mass311.04
IUPAC NameN-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCS(=O)(=O)NC(=O)C(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H12F3NO4S/c1-20(17,18)15-10(16)9(19-7-11(12,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,16)
InChIKeyJBAKJTMDKAQDKR-UHFFFAOYSA-N
XLogP1.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 47568031) is N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is CS(=O)(=O)NC(=O)C(OCC(F)(F)F)c1ccccc1.
What is the InChIKey of N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is JBAKJTMDKAQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4S/c1-20(17,18)15-10(16)9(19-7-11(12,13)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,16).
What are the key properties of N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 311.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 47568031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).