2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

C21H21N3O5S — CID 4202953

IUPAC2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C21H21N3O5S/c25-18(22-17-11-12-30(28,29)14-17)13-24-19(26)21(23-20(24)27,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)(H,23,27)
InChIKeyJUGOROJVPNQRLJ-UHFFFAOYSA-N
MW427.48 g/mol
LogP0.79
Rot. Bonds5

About 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4202953) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4202953
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C21H21N3O5S/c25-18(22-17-11-12-30(28,29)14-17)13-24-19(26)21(23-20(24)27,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)(H,23,27)
InChIKeyJUGOROJVPNQRLJ-UHFFFAOYSA-N
XLogP0.79
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4202953) is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is JUGOROJVPNQRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c25-18(22-17-11-12-30(28,29)14-17)13-24-19(26)21(23-20(24)27,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,25)(H,23,27).
What are the key properties of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 427.48 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4202953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).