N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H14F3NO2S — CID 86990441

IUPACN-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(c1cccs1)N(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-8(9-4-3-5-18-9)15(2)10(16)6-17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyIKUVKIKNIHMYMC-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.85
Rot. Bonds5

About N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990441) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990441
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC NameN-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(c1cccs1)N(C)C(=O)COCC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-8(9-4-3-5-18-9)15(2)10(16)6-17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyIKUVKIKNIHMYMC-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 5177104
2-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 51074235
N-[(S)-1-methyl-2-(2-thienyl)ethyl]ethoxyacetamide
CID 51894986
N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 60698565
2-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 45818566
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887448
n-((4-Bromothiophen-2-yl)methyl)-2-methoxy-N-methylacetamide
CID 51082326
(2S)-2-ethoxy-N-(thiophen-2-ylmethyl)propanamide
CID 93615811
1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 93617729
2-(2-methoxyethoxy)-1-[(2R)-2-(thiophen-2-ylmethyl)azepan-1-yl]ethanone
CID 97062938
2,2-difluoro-N,N-bis(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 10946296
2,2,2aTrifluoroaNamethylaNa[1a(thiophena2ayl)propana2ayl]acetamide
CID 79487463

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990441) is N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(c1cccs1)N(C)C(=O)COCC(F)(F)F.
What is the InChIKey of N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IKUVKIKNIHMYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-8(9-4-3-5-18-9)15(2)10(16)6-17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 281.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).