2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C14H12F3NOS — CID 566340

IUPAC2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cccs1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)11-4-1-3-10(7-11)9-18-13(19)8-12-5-2-6-20-12/h1-7H,8-9H2,(H,18,19)
InChIKeySJAVSGRPTJXTFR-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.63
Rot. Bonds4

About 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 566340) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID566340
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1cccs1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H12F3NOS/c15-14(16,17)11-4-1-3-10(7-11)9-18-13(19)8-12-5-2-6-20-12/h1-7H,8-9H2,(H,18,19)
InChIKeySJAVSGRPTJXTFR-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 566340) is 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(Cc1cccs1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is SJAVSGRPTJXTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c15-14(16,17)11-4-1-3-10(7-11)9-18-13(19)8-12-5-2-6-20-12/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 299.32 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 566340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).