N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C16H17N3O4S — CID 571916

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H17N3O4S/c20-13-8-11(9-19(13)12-4-2-1-3-5-12)15(22)17-6-7-18-14(21)10-24-16(18)23/h1-5,11H,6-10H2,(H,17,22)
InChIKeyJPTHNJVRGSFFPB-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.85
Rot. Bonds5

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 571916) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID571916
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCCN1C(=O)CSC1=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H17N3O4S/c20-13-8-11(9-19(13)12-4-2-1-3-5-12)15(22)17-6-7-18-14(21)10-24-16(18)23/h1-5,11H,6-10H2,(H,17,22)
InChIKeyJPTHNJVRGSFFPB-UHFFFAOYSA-N
XLogP0.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 571916) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCCN1C(=O)CSC1=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JPTHNJVRGSFFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-13-8-11(9-19(13)12-4-2-1-3-5-12)15(22)17-6-7-18-14(21)10-24-16(18)23/h1-5,11H,6-10H2,(H,17,22).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).