methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate

C21H22N2O4S — CID 11025730

IUPACmethyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate
SMILESCOC(=O)CSC[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-27-19(24)15-28-14-18-20(25)23(13-17-10-6-3-7-11-17)21(26)22(18)12-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3/t18-/m0/s1
InChIKeyFQTPDNYHPQHIOD-SFHVURJKSA-N
MW398.48 g/mol
LogP2.93
Rot. Bonds8

About methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate

methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate (PubChem CID 11025730) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate
PubChem CID11025730
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Namemethyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate
SMILESCOC(=O)CSC[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H22N2O4S/c1-27-19(24)15-28-14-18-20(25)23(13-17-10-6-3-7-11-17)21(26)22(18)12-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3/t18-/m0/s1
InChIKeyFQTPDNYHPQHIOD-SFHVURJKSA-N
XLogP2.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate with MolForge

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Related Compounds

Methyl 7-benzyl-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
CID 4663602
(5S)-1-benzyl-3-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 155548312
1,3-Dibenzyltetrahydro-1h-thieno[3,4-d]imidazole-2,4-dione
CID 118509
(3AS-cis)-1,3-Dibenzyltetrahydro-1H-thieno[3,4-D]imidazole-2,4-dione
CID 119817
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-phenyl-3-(((phenylmethyl)amino)acetyl)-, methyl ester, monohydrochloride
CID 3074207
(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 70682717
(4R)-N-tert-butyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 70682718
(4R)-N-benzyl-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 70684798
(4R)-3-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-2-phenyl-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 70689031
(3S,7aR)-6-Benzyl-3-phenyl perhydroimidazo[1,5-c][1,3]thiazol-5,7-dione
CID 11771683
methyl 2-[(3R,8aR)-5,8-dioxo-3-phenyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]acetate
CID 102176428
(3aS,6aR)-1-[(R)-(1-phenylethyl)]-3-benzyl-dihydro-1H-thieno[3,4-d]-imidazol-2,4(3H,3aH)-dione
CID 11013605

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate?
The IUPAC name of methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate (CID 11025730) is methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate?
The canonical SMILES for methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate is COC(=O)CSC[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate?
The InChIKey is FQTPDNYHPQHIOD-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-27-19(24)15-28-14-18-20(25)23(13-17-10-6-3-7-11-17)21(26)22(18)12-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3/t18-/m0/s1.
What are the key properties of methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate?
methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate has a molecular weight of 398.48 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4R)-1,3-dibenzyl-2,5-dioxoimidazolidin-4-yl]methylsulfanyl]acetate is sourced from PubChem (CID 11025730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).