2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

C22H24FN3O6S3 — CID 43900672

About 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 43900672) has the molecular formula C22H24FN3O6S3 and a molecular weight of 541.65 g/mol. Its IUPAC name is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
• PubChem CID: 43900672
• Molecular Formula: C22H24FN3O6S3
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.08
• IUPAC Name: 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
• SMILES: COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C22H24FN3O6S3/c1-15(2)25-34(28,29)16-10-11-20(32-3)18(13-16)24-21(27)14-26(19-8-5-4-7-17(19)23)35(30,31)22-9-6-12-33-22/h4-13,15,25H,14H2,1-3H3,(H,24,27)
• InChIKey: KENALUISUNOQDN-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 121.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?

The IUPAC name of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide (CID 43900672) is 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide.

What is the SMILES notation for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?

The canonical SMILES for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1.

What is the InChIKey of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?

The InChIKey is KENALUISUNOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O6S3/c1-15(2)25-34(28,29)16-10-11-20(32-3)18(13-16)24-21(27)14-26(19-8-5-4-7-17(19)23)35(30,31)22-9-6-12-33-22/h4-13,15,25H,14H2,1-3H3,(H,24,27).

What are the key properties of 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide?

2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 541.65 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43900672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).