2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide

C22H20FNO3S — CID 112773422

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCCc1cccs1
InChIInChI=1S/C22H20FNO3S/c1-15(22(26)24-13-12-20-3-2-14-28-20)27-19-10-6-17(7-11-19)21(25)16-4-8-18(23)9-5-16/h2-11,14-15H,12-13H2,1H3,(H,24,26)
InChIKeyROJQWSPPSJBSKO-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.24
Rot. Bonds8

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 112773422) has the molecular formula C22H20FNO3S and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID112773422
Molecular FormulaC22H20FNO3S
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCCc1cccs1
InChIInChI=1S/C22H20FNO3S/c1-15(22(26)24-13-12-20-3-2-14-28-20)27-19-10-6-17(7-11-19)21(25)16-4-8-18(23)9-5-16/h2-11,14-15H,12-13H2,1H3,(H,24,26)
InChIKeyROJQWSPPSJBSKO-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-thiophen-2-ylbutanehydrazide
CID 40611154
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
(2R)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,2,2-trifluoroethyl)propanamide
CID 95593436
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
2-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 43003184
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide (CID 112773422) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide is CC(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)NCCc1cccs1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is ROJQWSPPSJBSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S/c1-15(22(26)24-13-12-20-3-2-14-28-20)27-19-10-6-17(7-11-19)21(25)16-4-8-18(23)9-5-16/h2-11,14-15H,12-13H2,1H3,(H,24,26).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 397.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 112773422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).