3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C26H32N4O4S — CID 55351936

About 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 55351936) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

• Compound Name: 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• PubChem CID: 55351936
• Molecular Formula: C26H32N4O4S
• Molecular Weight: 496.63 g/mol
• Exact Mass: 496.21
• IUPAC Name: 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
• SMILES: CC(C)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCc5ccccc5C4)C3=O)CC2)cc1
• InChI: InChI=1S/C26H32N4O4S/c1-19(2)20-7-9-23(10-8-20)35(33,34)29-15-13-28(14-16-29)18-30-24(31)26(27-25(30)32)12-11-21-5-3-4-6-22(21)17-26/h3-10,19H,11-18H2,1-2H3,(H,27,32)
• InChIKey: LCGUXSNPHOSFOM-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.63
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
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 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The IUPAC name of 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 55351936) is 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

What is the SMILES notation for 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The canonical SMILES for 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is CC(C)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCc5ccccc5C4)C3=O)CC2)cc1.

What is the InChIKey of 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

The InChIKey is LCGUXSNPHOSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-19(2)20-7-9-23(10-8-20)35(33,34)29-15-13-28(14-16-29)18-30-24(31)26(27-25(30)32)12-11-21-5-3-4-6-22(21)17-26/h3-10,19H,11-18H2,1-2H3,(H,27,32).

What are the key properties of 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?

3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 496.63 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 55351936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).