N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C21H19F3N2O3S — CID 24982768

IUPACN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C21H19F3N2O3S/c1-2-26(13-19(27)25-12-16-7-4-10-30-16)20(28)18-9-8-17(29-18)14-5-3-6-15(11-14)21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,27)
InChIKeyIGSQNECHVDJQTI-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.81
Rot. Bonds7

About N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 24982768) has the molecular formula C21H19F3N2O3S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID24982768
Molecular FormulaC21H19F3N2O3S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C21H19F3N2O3S/c1-2-26(13-19(27)25-12-16-7-4-10-30-16)20(28)18-9-8-17(29-18)14-5-3-6-15(11-14)21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,27)
InChIKeyIGSQNECHVDJQTI-UHFFFAOYSA-N
XLogP4.81
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 24982768) is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is IGSQNECHVDJQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3S/c1-2-26(13-19(27)25-12-16-7-4-10-30-16)20(28)18-9-8-17(29-18)14-5-3-6-15(11-14)21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,27).
What are the key properties of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 24982768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).