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

C18H15ClN2O3S — CID 2827704

IUPACN-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3S/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)
InChIKeyQDWXZYBZQAFWMD-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.34
Rot. Bonds5

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

N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide (PubChem CID 2827704) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide
PubChem CID2827704
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2O3S/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)
InChIKeyQDWXZYBZQAFWMD-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.34
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-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide (CID 2827704) is N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide is O=C(CSC1CC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
The InChIKey is QDWXZYBZQAFWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/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-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide?
N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide has a molecular weight of 374.85 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide is sourced from PubChem (CID 2827704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).