5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione

C19H16N2O4S — CID 24889303

IUPAC5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)c2ccc(C#Cc3ccccc3)cc2)NC(=O)NC1=O
InChIInChI=1S/C19H16N2O4S/c1-19(17(22)20-18(23)21-19)13-26(24,25)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,13H2,1H3,(H2,20,21,22,23)
InChIKeyGNNSMRWMJDUOES-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.46
Rot. Bonds3

About 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione

5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 24889303) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID24889303
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)c2ccc(C#Cc3ccccc3)cc2)NC(=O)NC1=O
InChIInChI=1S/C19H16N2O4S/c1-19(17(22)20-18(23)21-19)13-26(24,25)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,13H2,1H3,(H2,20,21,22,23)
InChIKeyGNNSMRWMJDUOES-UHFFFAOYSA-N
XLogP1.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione (CID 24889303) is 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione is CC1(CS(=O)(=O)c2ccc(C#Cc3ccccc3)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is GNNSMRWMJDUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-19(17(22)20-18(23)21-19)13-26(24,25)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,13H2,1H3,(H2,20,21,22,23).
What are the key properties of 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione?
5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 368.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[[4-(2-phenylethynyl)phenyl]sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 24889303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).