(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione

C14H18N2O4S — CID 95582364

IUPAC(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCN1C(=O)N[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O4S/c1-21(19,20)10-9-16-13(17)12(15-14(16)18)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyJPOQFHXYCJUQJF-GFCCVEGCSA-N
MW310.37 g/mol
LogP0.58
Rot. Bonds6

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

(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (PubChem CID 95582364) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
PubChem CID95582364
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
SMILESCS(=O)(=O)CCN1C(=O)N[C@H](CCc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O4S/c1-21(19,20)10-9-16-13(17)12(15-14(16)18)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyJPOQFHXYCJUQJF-GFCCVEGCSA-N
XLogP0.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(benzenesulfonyl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 75865261
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]propanamide
CID 47117412
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
3-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-hydroxypropanamide
CID 87094358
(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
CID 9166115
2-[(4S)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-ethylacetamide
CID 2598023
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40751097
4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
CID 2598097
(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 25362720
(5S)-3-[(4-bromophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 40750751
(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40880325

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione (CID 95582364) is (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is CS(=O)(=O)CCN1C(=O)N[C@H](CCc2ccccc2)C1=O.
What is the InChIKey of (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
The InChIKey is JPOQFHXYCJUQJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-21(19,20)10-9-16-13(17)12(15-14(16)18)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione?
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione has a molecular weight of 310.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95582364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).