N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide

C₁₆H₁₆N₂O₄S — CID 7243583

About N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide

N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide (PubChem CID 7243583) has the molecular formula C₁₆H₁₆N₂O₄S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide
• PubChem CID: 7243583
• Molecular Formula: C₁₆H₁₆N₂O₄S
• Molecular Weight: 332.38 g/mol
• Exact Mass: 332.08
• IUPAC Name: N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide
• SMILES: O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2cccs2)CCOCC1
• InChI: InChI=1S/C16H16N2O4S/c19-15(17-12-3-1-4-13(11-12)18(20)21)16(6-8-22-9-7-16)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,17,19)
• InChIKey: OSJIJQJIGDZKDS-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 81.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.38
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?

The IUPAC name of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide (CID 7243583) is N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide.

What is the SMILES notation for N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?

The canonical SMILES for N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2cccs2)CCOCC1.

What is the InChIKey of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?

The InChIKey is OSJIJQJIGDZKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-15(17-12-3-1-4-13(11-12)18(20)21)16(6-8-22-9-7-16)14-5-2-10-23-14/h1-5,10-11H,6-9H2,(H,17,19).

What are the key properties of N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide?

N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide is sourced from PubChem (CID 7243583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7243583 — identifiers, structure, computed properties (public domain)

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