N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide

C16H15F3N2O2S — CID 67357609

IUPACN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)c1ccsc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-20-15(23)12(9-10-5-3-2-4-6-10)21-14(22)11-7-8-24-13(11)16(17,18)19/h2-8,12H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCMTVISCCZWIGBE-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.85
Rot. Bonds5

About N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide

N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide (PubChem CID 67357609) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide
PubChem CID67357609
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)c1ccsc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O2S/c1-20-15(23)12(9-10-5-3-2-4-6-10)21-14(22)11-7-8-24-13(11)16(17,18)19/h2-8,12H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyCMTVISCCZWIGBE-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide (CID 67357609) is N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide is CNC(=O)C(Cc1ccccc1)NC(=O)c1ccsc1C(F)(F)F.
What is the InChIKey of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
The InChIKey is CMTVISCCZWIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-20-15(23)12(9-10-5-3-2-4-6-10)21-14(22)11-7-8-24-13(11)16(17,18)19/h2-8,12H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide?
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 67357609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).