5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid

C10H6N2O6S — CID 43474864

IUPAC5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6N2O6S/c13-9(5-1-4-8(18-5)12(16)17)11-7-3-2-6(19-7)10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKeyXSJRDHHRSFJDRE-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.20
Rot. Bonds4

About 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid

5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43474864) has the molecular formula C10H6N2O6S and a molecular weight of 282.23 g/mol. Its IUPAC name is 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43474864
Molecular FormulaC10H6N2O6S
Molecular Weight282.23 g/mol
Exact Mass281.99
IUPAC Name5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(C(=O)O)s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H6N2O6S/c13-9(5-1-4-8(18-5)12(16)17)11-7-3-2-6(19-7)10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKeyXSJRDHHRSFJDRE-UHFFFAOYSA-N
XLogP2.20
TPSA122.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474780
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
5-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
5-nitro-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 17146023
5-nitro-N-(2-phenylphenyl)furan-2-carboxamide
CID 23829547
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962

Frequently Asked Questions

What is the IUPAC name of 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 43474864) is 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccc(C(=O)O)s1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is XSJRDHHRSFJDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O6S/c13-9(5-1-4-8(18-5)12(16)17)11-7-3-2-6(19-7)10(14)15/h1-4H,(H,11,13)(H,14,15).
What are the key properties of 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid?
5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 282.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).