[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

C20H14FNO4S — CID 7491975

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCC(=O)c1ccccc1F)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H14FNO4S/c21-16-8-2-1-7-15(16)17(23)12-26-20(25)13-5-3-6-14(11-13)22-19(24)18-9-4-10-27-18/h1-11H,12H2,(H,22,24)
InChIKeyGZSIGFUMUKSILD-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.18
Rot. Bonds6

About [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 7491975) has the molecular formula C20H14FNO4S and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID7491975
Molecular FormulaC20H14FNO4S
Molecular Weight383.40 g/mol
Exact Mass383.06
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
SMILESO=C(OCC(=O)c1ccccc1F)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H14FNO4S/c21-16-8-2-1-7-15(16)17(23)12-26-20(25)13-5-3-6-14(11-13)22-19(24)18-9-4-10-27-18/h1-11H,12H2,(H,22,24)
InChIKeyGZSIGFUMUKSILD-UHFFFAOYSA-N
XLogP4.18
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7888664
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888732
[2-(3-chloroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491904
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 33065558
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888749
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491917
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888809
[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 27044974
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30819107
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30818019

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate (CID 7491975) is [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is O=C(OCC(=O)c1ccccc1F)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is GZSIGFUMUKSILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO4S/c21-16-8-2-1-7-15(16)17(23)12-26-20(25)13-5-3-6-14(11-13)22-19(24)18-9-4-10-27-18/h1-11H,12H2,(H,22,24).
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate?
[2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 383.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 7491975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).