N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide

C19H24N2O2S — CID 42892847

IUPACN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CC(C)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-3-21(14-18(22)20-13-17-10-7-11-24-17)19(23)12-15(2)16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,20,22)
InChIKeyJSWRISVCNGVPQG-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.41
Rot. Bonds8

About N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide

N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide (PubChem CID 42892847) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide
PubChem CID42892847
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)CC(C)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-3-21(14-18(22)20-13-17-10-7-11-24-17)19(23)12-15(2)16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,20,22)
InChIKeyJSWRISVCNGVPQG-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide (CID 42892847) is N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide is CCN(CC(=O)NCc1cccs1)C(=O)CC(C)c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide?
The InChIKey is JSWRISVCNGVPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-3-21(14-18(22)20-13-17-10-7-11-24-17)19(23)12-15(2)16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide?
N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide has a molecular weight of 344.48 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-phenylbutanamide is sourced from PubChem (CID 42892847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).