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

C14H18N2O5S — CID 94081397

IUPAC(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)c1
InChIInChI=1S/C14H18N2O5S/c1-14(10-5-4-6-11(9-10)21-2)12(17)16(13(18)15-14)7-8-22(3,19)20/h4-6,9H,7-8H2,1-3H3,(H,15,18)/t14-/m1/s1
InChIKeySKKUXVIXRAAWFW-CQSZACIVSA-N
MW326.37 g/mol
LogP0.51
Rot. Bonds5

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

(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 94081397) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID94081397
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCOc1cccc([C@@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)c1
InChIInChI=1S/C14H18N2O5S/c1-14(10-5-4-6-11(9-10)21-2)12(17)16(13(18)15-14)7-8-22(3,19)20/h4-6,9H,7-8H2,1-3H3,(H,15,18)/t14-/m1/s1
InChIKeySKKUXVIXRAAWFW-CQSZACIVSA-N
XLogP0.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.51
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-fluorophenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41096881
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 40620869
(5R)-3-[(2S)-2-hydroxy-2-phenylethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 31565993
(5S)-3-[(2-ethoxyphenyl)methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 8010720
2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 25497659
5-(4-methoxyphenyl)-5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]imidazolidine-2,4-dione
CID 139004986
4-[(4S)-4-methyl-1-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 94180306
4-[(4R)-4-methyl-1-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 94180307
(5R)-5-(3-methoxyphenyl)-5-methyl-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazolidine-2,4-dione
CID 9318746
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
cyclopropyl-[(4-methoxyphenyl)methyl]-[[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9281572
(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 95589593

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 94081397) is (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is COc1cccc([C@@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)c1.
What is the InChIKey of (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is SKKUXVIXRAAWFW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-14(10-5-4-6-11(9-10)21-2)12(17)16(13(18)15-14)7-8-22(3,19)20/h4-6,9H,7-8H2,1-3H3,(H,15,18)/t14-/m1/s1.
What are the key properties of (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 326.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 94081397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).