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

C₂₄H₂₂N₄O₄S — CID 55535615

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

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 55535615) has the molecular formula C₂₄H₂₂N₄O₄S and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
• PubChem CID: 55535615
• Molecular Formula: C₂₄H₂₂N₄O₄S
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.14
• IUPAC Name: 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
• SMILES: O=C(NC1CCc2ccccc2C1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C24H22N4O4S/c29-23(25-17-10-9-15-5-1-2-6-16(15)13-17)19-7-3-4-8-20(19)28-33(31,32)18-11-12-21-22(14-18)27-24(30)26-21/h1-8,11-12,14,17,28H,9-10,13H2,(H,25,29)(H2,26,27,30)
• InChIKey: KPHSYKSWSKWNNQ-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 123.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide (CID 55535615) is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide.

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

The canonical SMILES for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is O=C(NC1CCc2ccccc2C1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.

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

The InChIKey is KPHSYKSWSKWNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c29-23(25-17-10-9-15-5-1-2-6-16(15)13-17)19-7-3-4-8-20(19)28-33(31,32)18-11-12-21-22(14-18)27-24(30)26-21/h1-8,11-12,14,17,28H,9-10,13H2,(H,25,29)(H2,26,27,30).

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

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 462.53 g/mol, XLogP of 2.94, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 55535615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55535615 — identifiers, structure, computed properties (public domain)

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