N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide

C15H14F3NO2S — CID 86264106

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)12-4-2-1-3-11(12)14(21)19-7-5-13(20)10-6-8-22-9-10/h1-4,6,8-9,13,20H,5,7H2,(H,19,21)
InChIKeyQDEOSJHCSNPSQA-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.62
Rot. Bonds5

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide (PubChem CID 86264106) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide
PubChem CID86264106
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)12-4-2-1-3-11(12)14(21)19-7-5-13(20)10-6-8-22-9-10/h1-4,6,8-9,13,20H,5,7H2,(H,19,21)
InChIKeyQDEOSJHCSNPSQA-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
CID 25023803
N-(thiophen-3-ylmethyl)-2-(trifluoromethyl)benzamide
CID 25853999
2-chloro-6-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzamide
CID 52992615
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
3-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683855
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687
2-Chloro-6-fluoro-N-[3-hydroxy-3-(thiophen-2-YL)propyl]benzamide
CID 71787817

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide (CID 86264106) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide is O=C(NCCC(O)c1ccsc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is QDEOSJHCSNPSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c16-15(17,18)12-4-2-1-3-11(12)14(21)19-7-5-13(20)10-6-8-22-9-10/h1-4,6,8-9,13,20H,5,7H2,(H,19,21).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 329.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 86264106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).