N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C14H12F3NO2S — CID 46482581

IUPACN-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCc1cccs1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)8-13(19)18-9-12-2-1-7-21-12/h1-7H,8-9H2,(H,18,19)
InChIKeyUDINZCAKETVTJX-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.51
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 46482581) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID46482581
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NCc1cccs1
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)8-13(19)18-9-12-2-1-7-21-12/h1-7H,8-9H2,(H,18,19)
InChIKeyUDINZCAKETVTJX-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(4-hydroxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 78806113
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 25411323
2,2,2-trifluoro-N-[4-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetamide
CID 108933744
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
N-methyl-2-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 52570534
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 46482581) is N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is UDINZCAKETVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)20-11-5-3-10(4-6-11)8-13(19)18-9-12-2-1-7-21-12/h1-7H,8-9H2,(H,18,19).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 46482581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).