(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid

C₁₃H₁₁NO₄S — CID 151848888

About (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid

(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid (PubChem CID 151848888) has the molecular formula C₁₃H₁₁NO₄S and a molecular weight of 277.30 g/mol. Its IUPAC name is (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid.

Molecular Properties

• Compound Name: (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid
• PubChem CID: 151848888
• Molecular Formula: C₁₃H₁₁NO₄S
• Molecular Weight: 277.30 g/mol
• Exact Mass: 277.04
• IUPAC Name: (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid
• SMILES: O=C(O)NC(C(=O)Oc1ccccc1)c1cccs1
• InChI: InChI=1S/C13H11NO4S/c15-12(18-9-5-2-1-3-6-9)11(14-13(16)17)10-7-4-8-19-10/h1-8,11,14H,(H,16,17)
• InChIKey: SIGCYTXTOXFLGT-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.30
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?

The IUPAC name of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid (CID 151848888) is (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid.

What is the SMILES notation for (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?

The canonical SMILES for (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid is O=C(O)NC(C(=O)Oc1ccccc1)c1cccs1.

What is the InChIKey of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?

The InChIKey is SIGCYTXTOXFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c15-12(18-9-5-2-1-3-6-9)11(14-13(16)17)10-7-4-8-19-10/h1-8,11,14H,(H,16,17).

What are the key properties of (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid?

(2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid has a molecular weight of 277.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-oxo-2-phenoxy-1-thiophen-2-ylethyl)carbamic acid is sourced from PubChem (CID 151848888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151848888 — identifiers, structure, computed properties (public domain)

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