N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide

C15H14F3NO2S — CID 71781687

IUPACN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccsc1C(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c1-9-6-7-22-13(9)12(20)8-19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-7,12,20H,8H2,1H3,(H,19,21)
InChIKeySGSXVSZCUNEOTP-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.54
Rot. Bonds4

About N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 71781687) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID71781687
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
SMILESCc1ccsc1C(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14F3NO2S/c1-9-6-7-22-13(9)12(20)8-19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-7,12,20H,8H2,1H3,(H,19,21)
InChIKeySGSXVSZCUNEOTP-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.54
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-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide (CID 71781687) is N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide is Cc1ccsc1C(O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is SGSXVSZCUNEOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-9-6-7-22-13(9)12(20)8-19-14(21)10-4-2-3-5-11(10)15(16,17)18/h2-7,12,20H,8H2,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 329.34 g/mol, XLogP of 3.54, 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-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71781687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).