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

C15H14F3NO2S — CID 71787829

IUPACN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)11-4-1-3-10(9-11)14(21)19-7-6-12(20)13-5-2-8-22-13/h1-5,8-9,12,20H,6-7H2,(H,19,21)
InChIKeyZAKJKUFOWJBIJQ-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.62
Rot. Bonds5

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

N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide (PubChem CID 71787829) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide
PubChem CID71787829
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide
SMILESO=C(NCCC(O)c1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2S/c16-15(17,18)11-4-1-3-10(9-11)14(21)19-7-6-12(20)13-5-2-8-22-13/h1-5,8-9,12,20H,6-7H2,(H,19,21)
InChIKeyZAKJKUFOWJBIJQ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide (CID 71787829) is N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide is O=C(NCCC(O)c1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ZAKJKUFOWJBIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c16-15(17,18)11-4-1-3-10(9-11)14(21)19-7-6-12(20)13-5-2-8-22-13/h1-5,8-9,12,20H,6-7H2,(H,19,21).
What are the key properties of N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(trifluoromethyl)benzamide?
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-(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-2-ylpropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71787829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).