N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide

C20H19FN2O3S — CID 9119946

IUPACN-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN2O3S/c1-2-23(13-19(24)22-12-16-4-3-11-27-16)20(25)18-10-9-17(26-18)14-5-7-15(21)8-6-14/h3-11H,2,12-13H2,1H3,(H,22,24)
InChIKeyOSJWFKYQJUXFAM-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.93
Rot. Bonds7

About N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide

N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide (PubChem CID 9119946) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide
PubChem CID9119946
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN2O3S/c1-2-23(13-19(24)22-12-16-4-3-11-27-16)20(25)18-10-9-17(26-18)14-5-7-15(21)8-6-14/h3-11H,2,12-13H2,1H3,(H,22,24)
InChIKeyOSJWFKYQJUXFAM-UHFFFAOYSA-N
XLogP3.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide (CID 9119946) is N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide is CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
The InChIKey is OSJWFKYQJUXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-2-23(13-19(24)22-12-16-4-3-11-27-16)20(25)18-10-9-17(26-18)14-5-7-15(21)8-6-14/h3-11H,2,12-13H2,1H3,(H,22,24).
What are the key properties of N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide?
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 9119946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).