3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

C21H19FN2O3S — CID 134803377

IUPAC3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCC(=O)NCc2cccs2)c1
InChIInChI=1S/C21H19FN2O3S/c1-27-19-8-7-16(22)11-18(19)14-4-2-5-15(10-14)21(26)24-13-20(25)23-12-17-6-3-9-28-17/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyQGOQEUREZBLHFB-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.61
Rot. Bonds7

About 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide

3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (PubChem CID 134803377) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
PubChem CID134803377
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCC(=O)NCc2cccs2)c1
InChIInChI=1S/C21H19FN2O3S/c1-27-19-8-7-16(22)11-18(19)14-4-2-5-15(10-14)21(26)24-13-20(25)23-12-17-6-3-9-28-17/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyQGOQEUREZBLHFB-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide (CID 134803377) is 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is COc1ccc(F)cc1-c1cccc(C(=O)NCC(=O)NCc2cccs2)c1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
The InChIKey is QGOQEUREZBLHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-27-19-8-7-16(22)11-18(19)14-4-2-5-15(10-14)21(26)24-13-20(25)23-12-17-6-3-9-28-17/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide?
3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 134803377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).