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

C21H22N2O4S — CID 155539348

IUPAC3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-14(2)15-9-11-17(12-10-15)28(26,27)23-19(24)21(22-20(23)25)13-5-7-16-6-3-4-8-18(16)21/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,22,25)
InChIKeyPGIDIMILIZZQHU-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.28
Rot. Bonds3

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

3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 155539348) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID155539348
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)c1ccc(S(=O)(=O)N2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C21H22N2O4S/c1-14(2)15-9-11-17(12-10-15)28(26,27)23-19(24)21(22-20(23)25)13-5-7-16-6-3-4-8-18(16)21/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,22,25)
InChIKeyPGIDIMILIZZQHU-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 155539348) is 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(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)NC3(CCCc4ccccc43)C2=O)cc1.
What is the InChIKey of 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is PGIDIMILIZZQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14(2)15-9-11-17(12-10-15)28(26,27)23-19(24)21(22-20(23)25)13-5-7-16-6-3-4-8-18(16)21/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,22,25).
What are the key properties of 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-(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 3'-(4-propan-2-ylphenyl)sulfonylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 155539348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).