1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C20H18N2O5S — CID 155550245

IUPAC1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)c1ccc(S(=O)(=O)N2C(=O)NC(=O)C23CCCc2ccccc23)cc1
InChIInChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25)
InChIKeyJAVDYLNBJZIQBH-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.36
Rot. Bonds3

About 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 155550245) has the molecular formula C20H18N2O5S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID155550245
Molecular FormulaC20H18N2O5S
Molecular Weight398.44 g/mol
Exact Mass398.09
IUPAC Name1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(=O)c1ccc(S(=O)(=O)N2C(=O)NC(=O)C23CCCc2ccccc23)cc1
InChIInChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25)
InChIKeyJAVDYLNBJZIQBH-UHFFFAOYSA-N
XLogP2.36
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 155550245) is 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is CC(=O)c1ccc(S(=O)(=O)N2C(=O)NC(=O)C23CCCc2ccccc23)cc1.
What is the InChIKey of 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is JAVDYLNBJZIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25).
What are the key properties of 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 398.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-acetylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 155550245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).