N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide

C16H15F3N2O3S — CID 8934226

IUPACN-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Cc1cccs1
InChIInChI=1S/C16H15F3N2O3S/c1-21(15(23)9-13-3-2-8-25-13)10-14(22)20-11-4-6-12(7-5-11)24-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyGREMADRJEKSJSA-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.29
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide

N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 8934226) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID8934226
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Cc1cccs1
InChIInChI=1S/C16H15F3N2O3S/c1-21(15(23)9-13-3-2-8-25-13)10-14(22)20-11-4-6-12(7-5-11)24-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyGREMADRJEKSJSA-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide (CID 8934226) is N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Cc1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is GREMADRJEKSJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-21(15(23)9-13-3-2-8-25-13)10-14(22)20-11-4-6-12(7-5-11)24-16(17,18)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide?
N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 372.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 8934226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).