2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C22H23N3O5S — CID 2647082

IUPAC2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H23N3O5S/c26-19(23-18-11-12-31(29,30)15-18)14-25-20(27)22(24-21(25)28,17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,23,26)(H,24,28)/t18-,22-/m0/s1
InChIKeyVXEJSIJFKFSDEH-AVRDEDQJSA-N
MW441.51 g/mol
LogP0.98
Rot. Bonds6

About 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 2647082) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID2647082
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C22H23N3O5S/c26-19(23-18-11-12-31(29,30)15-18)14-25-20(27)22(24-21(25)28,17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,23,26)(H,24,28)/t18-,22-/m0/s1
InChIKeyVXEJSIJFKFSDEH-AVRDEDQJSA-N
XLogP0.98
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 50.98
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

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2646971
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7300103
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41167520
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2708847
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2503024
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2705330
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2646977
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3392202
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2646985
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180879

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 2647082) is 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is VXEJSIJFKFSDEH-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H23N3O5S/c26-19(23-18-11-12-31(29,30)15-18)14-25-20(27)22(24-21(25)28,17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,23,26)(H,24,28)/t18-,22-/m0/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 2647082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).