4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid

C23H13NO7S — CID 58191467

IUPAC4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(OC(=O)c2cc3ccccc3o2)c1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C23H13NO7S/c25-20(17-9-12-5-1-3-7-15(12)29-17)24-14-11-32-23(19(14)21(26)27)31-22(28)18-10-13-6-2-4-8-16(13)30-18/h1-11H,(H,24,25)(H,26,27)
InChIKeyOVCMJJPICJYGEV-UHFFFAOYSA-N
MW447.42 g/mol
LogP5.41
Rot. Bonds5

About 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid

4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid (PubChem CID 58191467) has the molecular formula C23H13NO7S and a molecular weight of 447.42 g/mol. Its IUPAC name is 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid
PubChem CID58191467
Molecular FormulaC23H13NO7S
Molecular Weight447.42 g/mol
Exact Mass447.04
IUPAC Name4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(OC(=O)c2cc3ccccc3o2)c1C(=O)O)c1cc2ccccc2o1
InChIInChI=1S/C23H13NO7S/c25-20(17-9-12-5-1-3-7-15(12)29-17)24-14-11-32-23(19(14)21(26)27)31-22(28)18-10-13-6-2-4-8-16(13)30-18/h1-11H,(H,24,25)(H,26,27)
InChIKeyOVCMJJPICJYGEV-UHFFFAOYSA-N
XLogP5.41
TPSA118.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.42
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid with MolForge

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Related Compounds

4-(1-benzofuran-2-carbonylamino)-2-(2,5-difluoro-4-methoxyphenyl)thiophene-3-carboxylic acid
CID 58191255
2-(1-benzofuran-2-carbonylamino)-4-phenylthiophene-3-carboxylic acid
CID 2360560
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
methyl 4-(1-benzofuran-2-carbonylamino)-2-(5-methoxypyrazin-2-yl)thiophene-3-carboxylate
CID 67052227
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
2-(1-benzofuran-2-carbonylamino)-4-(4-chloro-3,5-difluorophenyl)thiophene-3-carboxylic acid
CID 59536052
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
benzhydryl 1-benzofuran-2-carboxylate
CID 7210554

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid?
The IUPAC name of 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid (CID 58191467) is 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid is O=C(Nc1csc(OC(=O)c2cc3ccccc3o2)c1C(=O)O)c1cc2ccccc2o1.
What is the InChIKey of 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid?
The InChIKey is OVCMJJPICJYGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO7S/c25-20(17-9-12-5-1-3-7-15(12)29-17)24-14-11-32-23(19(14)21(26)27)31-22(28)18-10-13-6-2-4-8-16(13)30-18/h1-11H,(H,24,25)(H,26,27).
What are the key properties of 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid?
4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid has a molecular weight of 447.42 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-carbonylamino)-2-(1-benzofuran-2-carbonyloxy)thiophene-3-carboxylic acid is sourced from PubChem (CID 58191467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).