N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

C24H22N4O4S — CID 154835051

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (PubChem CID 154835051) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• PubChem CID: 154835051
• Molecular Formula: C24H22N4O4S
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.14
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
• SMILES: O=C(NCc1ccc2c(c1)CCC2)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
• InChI: InChI=1S/C24H22N4O4S/c29-23(25-14-15-4-5-16-2-1-3-18(16)12-15)17-6-8-19(9-7-17)28-33(31,32)20-10-11-21-22(13-20)27-24(30)26-21/h4-13,28H,1-3,14H2,(H,25,29)(H2,26,27,30)
• InChIKey: NRHCCGUHMMWHES-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 123.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide (CID 154835051) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide.

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

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is O=C(NCc1ccc2c(c1)CCC2)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.

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

The InChIKey is NRHCCGUHMMWHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c29-23(25-14-15-4-5-16-2-1-3-18(16)12-15)17-6-8-19(9-7-17)28-33(31,32)20-10-11-21-22(13-20)27-24(30)26-21/h4-13,28H,1-3,14H2,(H,25,29)(H2,26,27,30).

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

N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide has a molecular weight of 462.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 154835051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).