[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

C18H12FNO4S2 — CID 31712486

IUPAC[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NC(=O)c1cccs1
InChIInChI=1S/C18H12FNO4S2/c19-12-5-3-11(4-6-12)13-7-8-15(26-13)18(23)24-10-16(21)20-17(22)14-2-1-9-25-14/h1-9H,10H2,(H,20,21,22)
InChIKeyBDGRCYBHUUZRCH-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.73
Rot. Bonds5

About [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (PubChem CID 31712486) has the molecular formula C18H12FNO4S2 and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
PubChem CID31712486
Molecular FormulaC18H12FNO4S2
Molecular Weight389.43 g/mol
Exact Mass389.02
IUPAC Name[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NC(=O)c1cccs1
InChIInChI=1S/C18H12FNO4S2/c19-12-5-3-11(4-6-12)13-7-8-15(26-13)18(23)24-10-16(21)20-17(22)14-2-1-9-25-14/h1-9H,10H2,(H,20,21,22)
InChIKeyBDGRCYBHUUZRCH-UHFFFAOYSA-N
XLogP3.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 31712845
[2-(butan-2-ylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192441
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
5-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 35008485
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 30968052
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059987
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 43023216
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724393
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888732
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46645492

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate (CID 31712486) is [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(F)cc2)s1)NC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
The InChIKey is BDGRCYBHUUZRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4S2/c19-12-5-3-11(4-6-12)13-7-8-15(26-13)18(23)24-10-16(21)20-17(22)14-2-1-9-25-14/h1-9H,10H2,(H,20,21,22).
What are the key properties of [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate?
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 31712486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).