Arsenamide

C₁₁H₁₂AsNO₅S₂ — CID 10749

About Arsenamide

Arsenamide (PubChem CID 10749) has the molecular formula C₁₁H₁₂AsNO₅S₂ and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-[(4-carbamoylphenyl)-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid.

Molecular Properties

• Compound Name: Arsenamide
• PubChem CID: 10749
• Molecular Formula: C₁₁H₁₂AsNO₅S₂
• Molecular Weight: 377.28 g/mol
• Exact Mass: 376.94
• IUPAC Name: 2-[(4-carbamoylphenyl)-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
• SMILES: NC(=O)c1ccc([As](SCC(=O)O)SCC(=O)O)cc1
• InChI: InChI=1S/C11H12AsNO5S2/c13-11(18)7-1-3-8(4-2-7)12(19-5-9(14)15)20-6-10(16)17/h1-4H,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
• InChIKey: YBQWEUNEYYXYOI-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 117.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.28
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Arsenamide?

The IUPAC name of Arsenamide (CID 10749) is 2-[(4-carbamoylphenyl)-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid.

What is the SMILES notation for Arsenamide?

The canonical SMILES for Arsenamide is NC(=O)c1ccc([As](SCC(=O)O)SCC(=O)O)cc1.

What is the InChIKey of Arsenamide?

The InChIKey is YBQWEUNEYYXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12AsNO5S2/c13-11(18)7-1-3-8(4-2-7)12(19-5-9(14)15)20-6-10(16)17/h1-4H,5-6H2,(H2,13,18)(H,14,15)(H,16,17).

What are the key properties of Arsenamide?

Arsenamide has a molecular weight of 377.28 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Arsenamide is sourced from PubChem (CID 10749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10749 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5566 — approved-drug record (CC BY-SA 4.0)

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