N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide

C11H9N3O5S — CID 2806257

IUPACN-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide
SMILESO=C(NCc1ccco1)NC(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O5S/c15-10(7-4-9(14(17)18)20-6-7)13-11(16)12-5-8-2-1-3-19-8/h1-4,6H,5H2,(H2,12,13,15,16)
InChIKeyHSOQMFBARXMOTD-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.89
Rot. Bonds4

About N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide

N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide (PubChem CID 2806257) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide
PubChem CID2806257
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide
SMILESO=C(NCc1ccco1)NC(=O)c1csc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O5S/c15-10(7-4-9(14(17)18)20-6-7)13-11(16)12-5-8-2-1-3-19-8/h1-4,6H,5H2,(H2,12,13,15,16)
InChIKeyHSOQMFBARXMOTD-UHFFFAOYSA-N
XLogP1.89
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide (CID 2806257) is N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide is O=C(NCc1ccco1)NC(=O)c1csc([N+](=O)[O-])c1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide?
The InChIKey is HSOQMFBARXMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c15-10(7-4-9(14(17)18)20-6-7)13-11(16)12-5-8-2-1-3-19-8/h1-4,6H,5H2,(H2,12,13,15,16).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide?
N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide has a molecular weight of 295.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-5-nitrothiophene-3-carboxamide is sourced from PubChem (CID 2806257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).