N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide

C22H20Cl2F3N5O4S2 — CID 11342496

About N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide

N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide (PubChem CID 11342496) has the molecular formula C22H20Cl2F3N5O4S2 and a molecular weight of 610.47 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide
• PubChem CID: 11342496
• Molecular Formula: C22H20Cl2F3N5O4S2
• Molecular Weight: 610.47 g/mol
• Exact Mass: 609.03
• IUPAC Name: N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide
• SMILES: O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2)s1
• InChI: InChI=1S/C22H20Cl2F3N5O4S2/c23-14-3-5-15(6-4-14)30-19(34)11-16-7-8-20(37-16)38(35,36)32-31-18(33)2-1-9-28-21-17(24)10-13(12-29-21)22(25,26)27/h3-8,10,12,32H,1-2,9,11H2,(H,28,29)(H,30,34)(H,31,33)
• InChIKey: UEBDXPRUGHDZRH-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 129.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.47
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide (CID 11342496) is N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide is O=C(CCCNc1ncc(C(F)(F)F)cc1Cl)NNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2)s1.

What is the InChIKey of N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide?

The InChIKey is UEBDXPRUGHDZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F3N5O4S2/c23-14-3-5-15(6-4-14)30-19(34)11-16-7-8-20(37-16)38(35,36)32-31-18(33)2-1-9-28-21-17(24)10-13(12-29-21)22(25,26)27/h3-8,10,12,32H,1-2,9,11H2,(H,28,29)(H,30,34)(H,31,33).

What are the key properties of N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide?

N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide has a molecular weight of 610.47 g/mol, XLogP of 4.85, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoylamino]sulfamoyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 11342496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).