S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate

C19H17N3O4S — CID 23467951

IUPACS-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate
SMILESO=CNCC(=O)SCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H17N3O4S/c23-12-20-11-16(24)27-13-22-17(25)19(21-18(22)26,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,23)(H,21,26)
InChIKeyMNDUJKHJUZLUHF-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.45
Rot. Bonds7

About S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate

S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate (PubChem CID 23467951) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate.

Molecular Properties

Compound NameS-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate
PubChem CID23467951
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameS-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate
SMILESO=CNCC(=O)SCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C19H17N3O4S/c23-12-20-11-16(24)27-13-22-17(25)19(21-18(22)26,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,23)(H,21,26)
InChIKeyMNDUJKHJUZLUHF-UHFFFAOYSA-N
XLogP1.45
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
CID 54266354
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
CID 2221675
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 4045289
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy-oxophosphanium
CID 173376528
N-[4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butyl]-2-pyridin-4-ylacetamide
CID 70826266
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 42964494

Frequently Asked Questions

What is the IUPAC name of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate?
The IUPAC name of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate (CID 23467951) is S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate.
What is the SMILES notation for S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate?
The canonical SMILES for S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate is O=CNCC(=O)SCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate?
The InChIKey is MNDUJKHJUZLUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-12-20-11-16(24)27-13-22-17(25)19(21-18(22)26,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,20,23)(H,21,26).
What are the key properties of S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate?
S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate has a molecular weight of 383.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate is sourced from PubChem (CID 23467951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).