N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide

C18H15BrN2O3S — CID 2827737

IUPACN-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O3S/c19-12-6-8-13(9-7-12)20-16(22)11-25-15-10-17(23)21(18(15)24)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,20,22)
InChIKeyVTQGDUTVQLFIPW-UHFFFAOYSA-N
MW419.30 g/mol
LogP3.45
Rot. Bonds5

About N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide

N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide (PubChem CID 2827737) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide
PubChem CID2827737
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC NameN-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O3S/c19-12-6-8-13(9-7-12)20-16(22)11-25-15-10-17(23)21(18(15)24)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,20,22)
InChIKeyVTQGDUTVQLFIPW-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide (CID 2827737) is N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide is O=C(CSC1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
The InChIKey is VTQGDUTVQLFIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c19-12-6-8-13(9-7-12)20-16(22)11-25-15-10-17(23)21(18(15)24)14-4-2-1-3-5-14/h1-9,15H,10-11H2,(H,20,22).
What are the key properties of N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide has a molecular weight of 419.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide is sourced from PubChem (CID 2827737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).