[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

C22H17FN2O6S — CID 43023216

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)NC(=O)c1cccs1
InChIInChI=1S/C22H17FN2O6S/c23-15-7-2-3-8-16(15)24-19(26)12-30-17-9-4-1-6-14(17)22(29)31-13-20(27)25-21(28)18-10-5-11-32-18/h1-11H,12-13H2,(H,24,26)(H,25,27,28)
InChIKeyJXZBTAYMIQEYCN-UHFFFAOYSA-N
MW456.45 g/mol
LogP3.02
Rot. Bonds8

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (PubChem CID 43023216) has the molecular formula C22H17FN2O6S and a molecular weight of 456.45 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
PubChem CID43023216
Molecular FormulaC22H17FN2O6S
Molecular Weight456.45 g/mol
Exact Mass456.08
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
SMILESO=C(COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)NC(=O)c1cccs1
InChIInChI=1S/C22H17FN2O6S/c23-15-7-2-3-8-16(15)24-19(26)12-30-17-9-4-1-6-14(17)22(29)31-13-20(27)25-21(28)18-10-5-11-32-18/h1-11H,12-13H2,(H,24,26)(H,25,27,28)
InChIKeyJXZBTAYMIQEYCN-UHFFFAOYSA-N
XLogP3.02
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 27013528
butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 33395881
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 42970641
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 27350415
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
2-(4-methoxyphenyl)ethyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 30052455
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 33261900
[2-(2-iodoanilino)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38908484

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate (CID 43023216) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is O=C(COC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)NC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
The InChIKey is JXZBTAYMIQEYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O6S/c23-15-7-2-3-8-16(15)24-19(26)12-30-17-9-4-1-6-14(17)22(29)31-13-20(27)25-21(28)18-10-5-11-32-18/h1-11H,12-13H2,(H,24,26)(H,25,27,28).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate has a molecular weight of 456.45 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 43023216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).