2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide

C15H11F6NO2S — CID 2110784

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C15H11F6NO2S/c16-14(17,18)9-4-10(15(19,20)21)6-11(5-9)24-8-13(23)22-7-12-2-1-3-25-12/h1-6H,7-8H2,(H,22,23)
InChIKeyAWGRHYBMHDIBBO-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.48
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2110784) has the molecular formula C15H11F6NO2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2110784
Molecular FormulaC15H11F6NO2S
Molecular Weight383.31 g/mol
Exact Mass383.04
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C15H11F6NO2S/c16-14(17,18)9-4-10(15(19,20)21)6-11(5-9)24-8-13(23)22-7-12-2-1-3-25-12/h1-6H,7-8H2,(H,22,23)
InChIKeyAWGRHYBMHDIBBO-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34964094
N'-[3-methoxy-5-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833835
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
CID 5035064
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16526066
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 49056126
bis[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-but-2-enedioate
CID 35700522

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide (CID 2110784) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCc1cccs1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AWGRHYBMHDIBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO2S/c16-14(17,18)9-4-10(15(19,20)21)6-11(5-9)24-8-13(23)22-7-12-2-1-3-25-12/h1-6H,7-8H2,(H,22,23).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 383.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2110784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).