1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide

C16H23N3O4S — CID 167261476

IUPAC1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
SMILESO=C1CSC(=O)N1CCNC(=O)C1(C(=O)NC2CCCC2)CCC1
InChIInChI=1S/C16H23N3O4S/c20-12-10-24-15(23)19(12)9-8-17-13(21)16(6-3-7-16)14(22)18-11-4-1-2-5-11/h11H,1-10H2,(H,17,21)(H,18,22)
InChIKeyCNNYCAGFYSMJGT-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.03
Rot. Bonds6

About 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide

1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide (PubChem CID 167261476) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
PubChem CID167261476
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide
SMILESO=C1CSC(=O)N1CCNC(=O)C1(C(=O)NC2CCCC2)CCC1
InChIInChI=1S/C16H23N3O4S/c20-12-10-24-15(23)19(12)9-8-17-13(21)16(6-3-7-16)14(22)18-11-4-1-2-5-11/h11H,1-10H2,(H,17,21)(H,18,22)
InChIKeyCNNYCAGFYSMJGT-UHFFFAOYSA-N
XLogP1.03
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide (CID 167261476) is 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide is O=C1CSC(=O)N1CCNC(=O)C1(C(=O)NC2CCCC2)CCC1.
What is the InChIKey of 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide?
The InChIKey is CNNYCAGFYSMJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c20-12-10-24-15(23)19(12)9-8-17-13(21)16(6-3-7-16)14(22)18-11-4-1-2-5-11/h11H,1-10H2,(H,17,21)(H,18,22).
What are the key properties of 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide?
1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide has a molecular weight of 353.44 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopentyl-1-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]cyclobutane-1,1-dicarboxamide is sourced from PubChem (CID 167261476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).