4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid

C20H14N2O4S — CID 58191497

IUPAC4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1
InChIInChI=1S/C20H14N2O4S/c1-11-6-7-13(9-21-11)18-17(20(24)25)14(10-27-18)22-19(23)16-8-12-4-2-3-5-15(12)26-16/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyLGVJRNDTIKBEBY-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.82
Rot. Bonds4

About 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid

4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid (PubChem CID 58191497) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
PubChem CID58191497
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1
InChIInChI=1S/C20H14N2O4S/c1-11-6-7-13(9-21-11)18-17(20(24)25)14(10-27-18)22-19(23)16-8-12-4-2-3-5-15(12)26-16/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyLGVJRNDTIKBEBY-UHFFFAOYSA-N
XLogP4.82
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid (CID 58191497) is 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cn1.
What is the InChIKey of 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
The InChIKey is LGVJRNDTIKBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c1-11-6-7-13(9-21-11)18-17(20(24)25)14(10-27-18)22-19(23)16-8-12-4-2-3-5-15(12)26-16/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid has a molecular weight of 378.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonylamino)-2-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58191497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).