N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C15H12F3NO2S — CID 25023796

IUPACN-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C15H12F3NO2S/c16-15(17,18)13(20)11-6-7-12(22-11)14(21)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,21)
InChIKeyPMRZVQLLYIMFFK-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.47
Rot. Bonds5

About N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 25023796) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID25023796
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC NameN-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C15H12F3NO2S/c16-15(17,18)13(20)11-6-7-12(22-11)14(21)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,21)
InChIKeyPMRZVQLLYIMFFK-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 25023796) is N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is PMRZVQLLYIMFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c16-15(17,18)13(20)11-6-7-12(22-11)14(21)19-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,21).
What are the key properties of N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 25023796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).