[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate

C₁₇H₁₅ClFNO₃S — CID 29352832

About [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate (PubChem CID 29352832) has the molecular formula C₁₇H₁₅ClFNO₃S and a molecular weight of 367.83 g/mol. Its IUPAC name is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate.

Molecular Properties

• Compound Name: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate
• PubChem CID: 29352832
• Molecular Formula: C₁₇H₁₅ClFNO₃S
• Molecular Weight: 367.83 g/mol
• Exact Mass: 367.04
• IUPAC Name: [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate
• SMILES: C[C@@H](OC(=O)CSc1ccccc1Cl)C(=O)Nc1ccccc1F
• InChI: InChI=1S/C17H15ClFNO3S/c1-11(17(22)20-14-8-4-3-7-13(14)19)23-16(21)10-24-15-9-5-2-6-12(15)18/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1
• InChIKey: ZAJPPKSZHFHSCK-LLVKDONJSA-N
• XLogP: 4.14
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.83
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate?

The IUPAC name of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate (CID 29352832) is [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate.

What is the SMILES notation for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate?

The canonical SMILES for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate is C[C@@H](OC(=O)CSc1ccccc1Cl)C(=O)Nc1ccccc1F.

What is the InChIKey of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate?

The InChIKey is ZAJPPKSZHFHSCK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClFNO3S/c1-11(17(22)20-14-8-4-3-7-13(14)19)23-16(21)10-24-15-9-5-2-6-12(15)18/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m1/s1.

What are the key properties of [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate?

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate has a molecular weight of 367.83 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 29352832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 29352832 — identifiers, structure, computed properties (public domain)

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