2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

C15H14F3NO2S — CID 71781968

IUPAC2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(Cc1cccs1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)14(21,11-5-2-1-3-6-11)10-19-13(20)9-12-7-4-8-22-12/h1-8,21H,9-10H2,(H,19,20)
InChIKeyYOCHHXWLIORPKT-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.86
Rot. Bonds5

About 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (PubChem CID 71781968) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
PubChem CID71781968
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC Name2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(Cc1cccs1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)14(21,11-5-2-1-3-6-11)10-19-13(20)9-12-7-4-8-22-12/h1-8,21H,9-10H2,(H,19,20)
InChIKeyYOCHHXWLIORPKT-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-(1-thiophen-3-ylmethyl-piperidin-4-yl)-acetamide
CID 9910802
Ammonium, (2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)trimethyl-, bromide
CID 33280
Ammonium, diethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)methyl-, bromide
CID 33282
Ammonium, diethyl(2-(alpha-hydroxy-alpha-phenyl-2-thiopheneacetamido)ethyl)methyl-, bromide
CID 33284
2-Thiopheneacetamide, N-(2-dimethylaminoethyl)-alpha-hydroxy-N-methyl-alpha-phenyl-, hydrochloride
CID 216099
2-Thiopheneacetamide, N-(2-diethylaminoethyl)-alpha-hydroxy-N-methyl-alpha-phenyl-, hydrochloride
CID 216103
2-Thiopheneacetamide, N-(2-diethylaminoethyl)-alpha-hydroxy-alpha-phenyl-, hydrochloride
CID 216105
(4R,5R)-5-((R)-Hydroxy-thiophen-2-yl-methyl)-4-phenyl-pyrrolidin-2-one
CID 44398156
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
N1-(thiophen-2-ylmethyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764241
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The IUPAC name of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (CID 71781968) is 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is O=C(Cc1cccs1)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The InChIKey is YOCHHXWLIORPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c16-15(17,18)14(21,11-5-2-1-3-6-11)10-19-13(20)9-12-7-4-8-22-12/h1-8,21H,9-10H2,(H,19,20).
What are the key properties of 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide has a molecular weight of 329.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is sourced from PubChem (CID 71781968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).