5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

C16H11N3O5S — CID 1164613

IUPAC5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H11N3O5S/c20-15(12-6-7-14(24-12)19(22)23)17-10-3-1-4-11(9-10)18-16(21)13-5-2-8-25-13/h1-9H,(H,17,20)(H,18,21)
InChIKeyDVCOSFGUZDERBQ-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.75
Rot. Bonds5

About 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide

5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (PubChem CID 1164613) has the molecular formula C16H11N3O5S and a molecular weight of 357.35 g/mol. Its IUPAC name is 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
PubChem CID1164613
Molecular FormulaC16H11N3O5S
Molecular Weight357.35 g/mol
Exact Mass357.04
IUPAC Name5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H11N3O5S/c20-15(12-6-7-14(24-12)19(22)23)17-10-3-1-4-11(9-10)18-16(21)13-5-2-8-25-13/h1-9H,(H,17,20)(H,18,21)
InChIKeyDVCOSFGUZDERBQ-UHFFFAOYSA-N
XLogP3.75
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.75
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 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide (CID 1164613) is 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
The InChIKey is DVCOSFGUZDERBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5S/c20-15(12-6-7-14(24-12)19(22)23)17-10-3-1-4-11(9-10)18-16(21)13-5-2-8-25-13/h1-9H,(H,17,20)(H,18,21).
What are the key properties of 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide?
5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1164613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).