N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C23H20ClN5O5S — CID 24981789

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 24981789) has the molecular formula C23H20ClN5O5S and a molecular weight of 513.96 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

• Compound Name: N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• PubChem CID: 24981789
• Molecular Formula: C23H20ClN5O5S
• Molecular Weight: 513.96 g/mol
• Exact Mass: 513.09
• IUPAC Name: N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• SMILES: CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
• InChI: InChI=1S/C23H20ClN5O5S/c1-29(13-21(30)25-16-8-4-15(24)5-9-16)22(31)14-2-6-17(7-3-14)28-35(33,34)18-10-11-19-20(12-18)27-23(32)26-19/h2-12,28H,13H2,1H3,(H,25,30)(H2,26,27,32)
• InChIKey: BRLGFDUKEGSLRY-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 144.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.96
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 24981789) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.

What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

The InChIKey is BRLGFDUKEGSLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O5S/c1-29(13-21(30)25-16-8-4-15(24)5-9-16)22(31)14-2-6-17(7-3-14)28-35(33,34)18-10-11-19-20(12-18)27-23(32)26-19/h2-12,28H,13H2,1H3,(H,25,30)(H2,26,27,32).

What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide?

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 513.96 g/mol, XLogP of 3.02, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 24981789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).