3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C15H20N2O3S — CID 38637594

IUPAC3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CSCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C15H20N2O3S/c1-15(2)13(18)17(14(19)16-15)7-8-21-10-11-5-4-6-12(9-11)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,16,19)
InChIKeyAOAYVKDLICJIGG-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.26
Rot. Bonds6

About 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 38637594) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID38637594
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(CSCCN2C(=O)NC(C)(C)C2=O)c1
InChIInChI=1S/C15H20N2O3S/c1-15(2)13(18)17(14(19)16-15)7-8-21-10-11-5-4-6-12(9-11)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,16,19)
InChIKeyAOAYVKDLICJIGG-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94796956
3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 46580993
3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95389250
3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677822
3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 75407166
(5S)-5-(2-bromophenyl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 40794994
(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 94081397
(5R)-5-(1,3-benzodioxol-5-yl)-3-[(3-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7691995
3-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35429756
5,5-dimethyl-3-(2-pyridin-2-ylsulfanylethyl)imidazolidine-2,4-dione
CID 35358202

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 38637594) is 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(CSCCN2C(=O)NC(C)(C)C2=O)c1.
What is the InChIKey of 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is AOAYVKDLICJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-15(2)13(18)17(14(19)16-15)7-8-21-10-11-5-4-6-12(9-11)20-3/h4-6,9H,7-8,10H2,1-3H3,(H,16,19).
What are the key properties of 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 308.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methoxyphenyl)methylsulfanyl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 38637594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).