N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide

C10H7N3O5S — CID 4852862

IUPACN-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H7N3O5S/c11-8(14)5-3-4-19-10(5)12-9(15)6-1-2-7(18-6)13(16)17/h1-4H,(H2,11,14)(H,12,15)
InChIKeyHLKLMDNHTFDHQC-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.60
Rot. Bonds4

About N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide

N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 4852862) has the molecular formula C10H7N3O5S and a molecular weight of 281.25 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID4852862
Molecular FormulaC10H7N3O5S
Molecular Weight281.25 g/mol
Exact Mass281.01
IUPAC NameN-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C10H7N3O5S/c11-8(14)5-3-4-19-10(5)12-9(15)6-1-2-7(18-6)13(16)17/h1-4H,(H2,11,14)(H,12,15)
InChIKeyHLKLMDNHTFDHQC-UHFFFAOYSA-N
XLogP1.60
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.60
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-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide (CID 4852862) is N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is HLKLMDNHTFDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O5S/c11-8(14)5-3-4-19-10(5)12-9(15)6-1-2-7(18-6)13(16)17/h1-4H,(H2,11,14)(H,12,15).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide?
N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 281.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 4852862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).