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

C16H17ClN2O2S — CID 2530449

IUPAC3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c1-2-19(16(21)12-5-3-6-13(17)9-12)11-15(20)18-10-14-7-4-8-22-14/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyQCGSLBLZKRLDBC-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.18
Rot. Bonds6

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

3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 2530449) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID2530449
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c1-2-19(16(21)12-5-3-6-13(17)9-12)11-15(20)18-10-14-7-4-8-22-14/h3-9H,2,10-11H2,1H3,(H,18,20)
InChIKeyQCGSLBLZKRLDBC-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 2530449) is 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is QCGSLBLZKRLDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-2-19(16(21)12-5-3-6-13(17)9-12)11-15(20)18-10-14-7-4-8-22-14/h3-9H,2,10-11H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 336.84 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 2530449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).