N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide

C15H11F6NO2S — CID 52992625

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6NO2S/c16-14(17,18)10-3-9(4-11(5-10)15(19,20)21)13(24)22-6-12(23)8-1-2-25-7-8/h1-5,7,12,23H,6H2,(H,22,24)
InChIKeyLLLHYRAYEMBJDL-UHFFFAOYSA-N
MW383.31 g/mol
LogP4.25
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 52992625) has the molecular formula C15H11F6NO2S and a molecular weight of 383.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID52992625
Molecular FormulaC15H11F6NO2S
Molecular Weight383.31 g/mol
Exact Mass383.04
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6NO2S/c16-14(17,18)10-3-9(4-11(5-10)15(19,20)21)13(24)22-6-12(23)8-1-2-25-7-8/h1-5,7,12,23H,6H2,(H,22,24)
InChIKeyLLLHYRAYEMBJDL-UHFFFAOYSA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide (CID 52992625) is N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide is O=C(NCC(O)c1ccsc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is LLLHYRAYEMBJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO2S/c16-14(17,18)10-3-9(4-11(5-10)15(19,20)21)13(24)22-6-12(23)8-1-2-25-7-8/h1-5,7,12,23H,6H2,(H,22,24).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 383.31 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 52992625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).