N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide

C15H14F3NO2S — CID 25023803

IUPACN-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(O)C(F)(F)F)s1
InChIInChI=1S/C15H14F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8,13,20H,9H2,1H3
InChIKeyKHJHLUOUXKNRGE-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.62
Rot. Bonds4

About N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide

N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 25023803) has the molecular formula C15H14F3NO2S and a molecular weight of 329.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
PubChem CID25023803
Molecular FormulaC15H14F3NO2S
Molecular Weight329.34 g/mol
Exact Mass329.07
IUPAC NameN-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(C(O)C(F)(F)F)s1
InChIInChI=1S/C15H14F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8,13,20H,9H2,1H3
InChIKeyKHJHLUOUXKNRGE-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide (CID 25023803) is N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(C(O)C(F)(F)F)s1.
What is the InChIKey of N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is KHJHLUOUXKNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2S/c1-19(9-10-5-3-2-4-6-10)14(21)12-8-7-11(22-12)13(20)15(16,17)18/h2-8,13,20H,9H2,1H3.
What are the key properties of N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide?
N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 25023803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).