(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione

C15H20N2O4S — CID 95247869

IUPAC(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(Cc2ccc(SC)c(OC)c2)C1=O
InChIInChI=1S/C15H20N2O4S/c1-15(9-20-2)13(18)17(14(19)16-15)8-10-5-6-12(22-4)11(7-10)21-3/h5-7H,8-9H2,1-4H3,(H,16,19)/t15-/m1/s1
InChIKeyHFTLITPFIIFLDF-OAHLLOKOSA-N
MW324.40 g/mol
LogP1.87
Rot. Bonds6

About (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 95247869) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID95247869
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCOC[C@@]1(C)NC(=O)N(Cc2ccc(SC)c(OC)c2)C1=O
InChIInChI=1S/C15H20N2O4S/c1-15(9-20-2)13(18)17(14(19)16-15)8-10-5-6-12(22-4)11(7-10)21-3/h5-7H,8-9H2,1-4H3,(H,16,19)/t15-/m1/s1
InChIKeyHFTLITPFIIFLDF-OAHLLOKOSA-N
XLogP1.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.87
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

(5S)-3-[(3-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95158297
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95307087
(5S)-3-[(2-bromo-5-fluorophenyl)methyl]-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 95333198
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperazine
CID 117384517
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7180813
4-(iodomethyl)-2-methoxy-1-methylsulfanylbenzene
CID 91881553
2-[[(4R)-4-(methoxymethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 94819428
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95166190
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
5-(methoxymethyl)-5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146084367

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 95247869) is (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione is COC[C@@]1(C)NC(=O)N(Cc2ccc(SC)c(OC)c2)C1=O.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HFTLITPFIIFLDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-15(9-20-2)13(18)17(14(19)16-15)8-10-5-6-12(22-4)11(7-10)21-3/h5-7H,8-9H2,1-4H3,(H,16,19)/t15-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 324.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[(3-methoxy-4-methylsulfanylphenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 95247869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).