(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione

C14H16N2O5S — CID 9166115

IUPAC(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
SMILESCS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O5S/c1-22(20,21)8-7-11-13(18)16(14(19)15-11)9-12(17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyMWCJGYJQENILCP-LLVKDONJSA-N
MW324.36 g/mol
LogP0.22
Rot. Bonds6

About (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione

(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione (PubChem CID 9166115) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
PubChem CID9166115
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
SMILESCS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O5S/c1-22(20,21)8-7-11-13(18)16(14(19)15-11)9-12(17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyMWCJGYJQENILCP-LLVKDONJSA-N
XLogP0.22
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
2-[(4R)-4-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 51563263
(5S)-3-[(4-bromophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40750751
5-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 115578460
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40751097
(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40880325
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64688348
3-(3-chlorophenyl)-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 43557973
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172
1-phenacylpyrrolidine-2,5-dione
CID 717114

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione (CID 9166115) is (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione is CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione?
The InChIKey is MWCJGYJQENILCP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O5S/c1-22(20,21)8-7-11-13(18)16(14(19)15-11)9-12(17)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)/t11-/m1/s1.
What are the key properties of (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione?
(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione has a molecular weight of 324.36 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 9166115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).