(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C18H18N2O5S — CID 11925838

IUPAC(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccc3ccccc23)NC(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)C1=O
InChIInChI=1S/C18H18N2O5S/c1-18(13-8-4-6-11-5-2-3-7-12(11)13)16(22)20(17(23)19-18)14-9-26(24,25)10-15(14)21/h2-8,14-15,21H,9-10H2,1H3,(H,19,23)/t14-,15-,18+/m0/s1
InChIKeyQXAROQXTTIRFFO-RLFYNMQTSA-N
MW374.42 g/mol
LogP0.76
Rot. Bonds2

About (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 11925838) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID11925838
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESC[C@]1(c2cccc3ccccc23)NC(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)C1=O
InChIInChI=1S/C18H18N2O5S/c1-18(13-8-4-6-11-5-2-3-7-12(11)13)16(22)20(17(23)19-18)14-9-26(24,25)10-15(14)21/h2-8,14-15,21H,9-10H2,1H3,(H,19,23)/t14-,15-,18+/m0/s1
InChIKeyQXAROQXTTIRFFO-RLFYNMQTSA-N
XLogP0.76
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione
CID 11925800
(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 11925778
3-[(2,2-dichlorocyclopropyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 43022994
(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione
CID 11925874
(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 11925743
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
(5R)-5-methyl-5-naphthalen-1-yl-3-(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9403666
2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704464
(5R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 100885751
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42971848
(5S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180024

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 11925838) is (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is C[C@]1(c2cccc3ccccc23)NC(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)C1=O.
What is the InChIKey of (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is QXAROQXTTIRFFO-RLFYNMQTSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-18(13-8-4-6-11-5-2-3-7-12(11)13)16(22)20(17(23)19-18)14-9-26(24,25)10-15(14)21/h2-8,14-15,21H,9-10H2,1H3,(H,19,23)/t14-,15-,18+/m0/s1.
What are the key properties of (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 374.42 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 11925838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).