(2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate

C18H13NO5S — CID 653742

IUPAC(2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate
SMILESO=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H13NO5S/c20-14(16-4-2-10-25-16)11-24-18(22)12-5-7-13(8-6-12)19-17(21)15-3-1-9-23-15/h1-10H,11H2,(H,19,21)
InChIKeyQLKBZLGMZRBXFM-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.63
Rot. Bonds6

About (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate

(2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate (PubChem CID 653742) has the molecular formula C18H13NO5S and a molecular weight of 355.37 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate
PubChem CID653742
Molecular FormulaC18H13NO5S
Molecular Weight355.37 g/mol
Exact Mass355.05
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate
SMILESO=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H13NO5S/c20-14(16-4-2-10-25-16)11-24-18(22)12-5-7-13(8-6-12)19-17(21)15-3-1-9-23-15/h1-10H,11H2,(H,19,21)
InChIKeyQLKBZLGMZRBXFM-UHFFFAOYSA-N
XLogP3.63
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate (CID 653742) is (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate is O=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate?
The InChIKey is QLKBZLGMZRBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5S/c20-14(16-4-2-10-25-16)11-24-18(22)12-5-7-13(8-6-12)19-17(21)15-3-1-9-23-15/h1-10H,11H2,(H,19,21).
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate?
(2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate has a molecular weight of 355.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 653742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).