N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

C₁₉H₁₄ClN₃O₃S₂ — CID 121170328

About N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide

N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (PubChem CID 121170328) has the molecular formula C₁₉H₁₄ClN₃O₃S₂ and a molecular weight of 431.93 g/mol. Its IUPAC name is N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.

Molecular Properties

• Compound Name: N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
• PubChem CID: 121170328
• Molecular Formula: C₁₉H₁₄ClN₃O₃S₂
• Molecular Weight: 431.93 g/mol
• Exact Mass: 431.02
• IUPAC Name: N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
• SMILES: N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)(c1ccsc1)c1cccs1
• InChI: InChI=1S/C19H14ClN3O3S2/c20-14-4-3-12(9-21)15(8-14)23-18(25)17(24)22-11-19(26,13-5-7-27-10-13)16-2-1-6-28-16/h1-8,10,26H,11H2,(H,22,24)(H,23,25)
• InChIKey: UEESNDMSCJIWPO-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 102.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.93
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?

The IUPAC name of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide (CID 121170328) is N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide.

What is the SMILES notation for N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?

The canonical SMILES for N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(O)(c1ccsc1)c1cccs1.

What is the InChIKey of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?

The InChIKey is UEESNDMSCJIWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S2/c20-14-4-3-12(9-21)15(8-14)23-18(25)17(24)22-11-19(26,13-5-7-27-10-13)16-2-1-6-28-16/h1-8,10,26H,11H2,(H,22,24)(H,23,25).

What are the key properties of N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide?

N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide has a molecular weight of 431.93 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(5-chloro-2-cyanophenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide is sourced from PubChem (CID 121170328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121170328 — identifiers, structure, computed properties (public domain)

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