2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid

C15H11NO4S — CID 115283855

IUPAC2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C15H11NO4S/c17-14(11-8-9-4-1-2-5-10(9)20-11)16-13(15(18)19)12-6-3-7-21-12/h1-8,13H,(H,16,17)(H,18,19)
InChIKeyKKBYQCPXYDKKLR-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.05
Rot. Bonds4

About 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid

2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115283855) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid
PubChem CID115283855
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C15H11NO4S/c17-14(11-8-9-4-1-2-5-10(9)20-11)16-13(15(18)19)12-6-3-7-21-12/h1-8,13H,(H,16,17)(H,18,19)
InChIKeyKKBYQCPXYDKKLR-UHFFFAOYSA-N
XLogP3.05
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid (CID 115283855) is 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is KKBYQCPXYDKKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-14(11-8-9-4-1-2-5-10(9)20-11)16-13(15(18)19)12-6-3-7-21-12/h1-8,13H,(H,16,17)(H,18,19).
What are the key properties of 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid?
2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 301.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-carbonylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).