N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide

C15H14F3NO2S — CID 56765427

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO2S/c1-9-6-13(22-8-9)14(21)19-7-12(20)10-2-4-11(5-3-10)15(16,17)18/h2-6,8,12,20H,7H2,1H3,(H,19,21)
InChIKeyXCHKBUSHZYBTFX-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.54
Rot. Bonds4

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 56765427) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide
PubChem CID56765427
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H14F3NO2S/c1-9-6-13(22-8-9)14(21)19-7-12(20)10-2-4-11(5-3-10)15(16,17)18/h2-6,8,12,20H,7H2,1H3,(H,19,21)
InChIKeyXCHKBUSHZYBTFX-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-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide (CID 56765427) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is XCHKBUSHZYBTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-9-6-13(22-8-9)14(21)19-7-12(20)10-2-4-11(5-3-10)15(16,17)18/h2-6,8,12,20H,7H2,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide 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-[4-(trifluoromethyl)phenyl]ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 56765427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).