N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide

C19H21FN2O3S — CID 24980063

IUPACN-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-2-22(13-18(24)21-12-16-4-3-11-26-16)19(25)10-9-17(23)14-5-7-15(20)8-6-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,24)
InChIKeyHQOSJANXPRPRED-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.02
Rot. Bonds9

About N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide

N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide (PubChem CID 24980063) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
PubChem CID24980063
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3S/c1-2-22(13-18(24)21-12-16-4-3-11-26-16)19(25)10-9-17(23)14-5-7-15(20)8-6-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,24)
InChIKeyHQOSJANXPRPRED-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide (CID 24980063) is N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide is CCN(CC(=O)NCc1cccs1)C(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
The InChIKey is HQOSJANXPRPRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-2-22(13-18(24)21-12-16-4-3-11-26-16)19(25)10-9-17(23)14-5-7-15(20)8-6-14/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide?
N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide has a molecular weight of 376.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide is sourced from PubChem (CID 24980063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).