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

C21H22N2O4S — CID 155521721

IUPAC1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2C(=O)NC(=O)C23CCCc2ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-14(2)15-9-11-17(12-10-15)28(26,27)23-20(25)22-19(24)21(23)13-5-7-16-6-3-4-8-18(16)21/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,22,24,25)
InChIKeyXSTOJSNXCJOZLO-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.28
Rot. Bonds3

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

1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 155521721) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID155521721
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2C(=O)NC(=O)C23CCCc2ccccc23)cc1
InChIInChI=1S/C21H22N2O4S/c1-14(2)15-9-11-17(12-10-15)28(26,27)23-20(25)22-19(24)21(23)13-5-7-16-6-3-4-8-18(16)21/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,22,24,25)
InChIKeyXSTOJSNXCJOZLO-UHFFFAOYSA-N
XLogP3.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 155521721) is 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is CC(C)c1ccc(S(=O)(=O)N2C(=O)NC(=O)C23CCCc2ccccc23)cc1.
What is the InChIKey of 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is XSTOJSNXCJOZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14(2)15-9-11-17(12-10-15)28(26,27)23-20(25)22-19(24)21(23)13-5-7-16-6-3-4-8-18(16)21/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,22,24,25).
What are the key properties of 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 398.48 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 155521721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).