N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C23H21FN4O5S — CID 46537671

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 46537671) has the molecular formula C23H21FN4O5S and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

• Compound Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• PubChem CID: 46537671
• Molecular Formula: C23H21FN4O5S
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.12
• IUPAC Name: N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• SMILES: CN(CCOc1ccccc1F)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C23H21FN4O5S/c1-28(12-13-33-21-9-5-3-7-17(21)24)22(29)16-6-2-4-8-18(16)27-34(31,32)15-10-11-19-20(14-15)26-23(30)25-19/h2-11,14,27H,12-13H2,1H3,(H2,25,26,30)
• InChIKey: SJVZKGBTNIBCBF-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 124.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 46537671) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN(CCOc1ccccc1F)C(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The InChIKey is SJVZKGBTNIBCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O5S/c1-28(12-13-33-21-9-5-3-7-17(21)24)22(29)16-6-2-4-8-18(16)27-34(31,32)15-10-11-19-20(14-15)26-23(30)25-19/h2-11,14,27H,12-13H2,1H3,(H2,25,26,30).

What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 484.51 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 46537671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).