2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C25H28N4O5S — CID 4027715

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4027715) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
• PubChem CID: 4027715
• Molecular Formula: C25H28N4O5S
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.18
• IUPAC Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
• SMILES: O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
• InChI: InChI=1S/C25H28N4O5S/c30-22(26-19-10-6-11-20(16-19)35(33,34)28-14-4-1-5-15-28)17-29-23(31)25(27-24(29)32)13-7-9-18-8-2-3-12-21(18)25/h2-3,6,8,10-12,16H,1,4-5,7,9,13-15,17H2,(H,26,30)(H,27,32)
• InChIKey: RVNVBPMAPWNNBM-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4027715) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.

What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?

The InChIKey is RVNVBPMAPWNNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c30-22(26-19-10-6-11-20(16-19)35(33,34)28-14-4-1-5-15-28)17-29-23(31)25(27-24(29)32)13-7-9-18-8-2-3-12-21(18)25/h2-3,6,8,10-12,16H,1,4-5,7,9,13-15,17H2,(H,26,30)(H,27,32).

What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 496.59 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4027715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).