2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide

C24H23N3O6S — CID 41119736

IUPAC2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C24H23N3O6S/c1-24(20-13-16-7-5-6-10-19(16)33-20)22(29)26(23(30)25-24)14-21(28)27(17-8-3-2-4-9-17)18-11-12-34(31,32)15-18/h2-10,13,18H,11-12,14-15H2,1H3,(H,25,30)/t18-,24+/m0/s1
InChIKeyUKWYDZWSFQQZKO-MHECFPHRSA-N
MW481.53 g/mol
LogP2.42
Rot. Bonds5

About 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide

2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide (PubChem CID 41119736) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
PubChem CID41119736
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O
InChIInChI=1S/C24H23N3O6S/c1-24(20-13-16-7-5-6-10-19(16)33-20)22(29)26(23(30)25-24)14-21(28)27(17-8-3-2-4-9-17)18-11-12-34(31,32)15-18/h2-10,13,18H,11-12,14-15H2,1H3,(H,25,30)/t18-,24+/m0/s1
InChIKeyUKWYDZWSFQQZKO-MHECFPHRSA-N
XLogP2.42
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41119119
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41119118
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 41167169
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 41208552
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 41208549
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 40846749
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 40846751
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 41256106
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyanomethyl)-N-phenylacetamide
CID 56521720
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
(5R)-5-(1-benzofuran-2-yl)-3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 51684131
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 55442216

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide (CID 41119736) is 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide is C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)C1=O.
What is the InChIKey of 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
The InChIKey is UKWYDZWSFQQZKO-MHECFPHRSA-N. The full InChI is InChI=1S/C24H23N3O6S/c1-24(20-13-16-7-5-6-10-19(16)33-20)22(29)26(23(30)25-24)14-21(28)27(17-8-3-2-4-9-17)18-11-12-34(31,32)15-18/h2-10,13,18H,11-12,14-15H2,1H3,(H,25,30)/t18-,24+/m0/s1.
What are the key properties of 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide?
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide has a molecular weight of 481.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide is sourced from PubChem (CID 41119736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).