2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

C18H18FN5O3S — CID 55467617

IUPAC2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN2C(=O)NC3(CCSC3)C2=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O3S/c1-11-8-14(24(22-11)13-4-2-12(19)3-5-13)20-15(25)9-23-16(26)18(21-17(23)27)6-7-28-10-18/h2-5,8H,6-7,9-10H2,1H3,(H,20,25)(H,21,27)
InChIKeyDRRTVCWJUWCCIM-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.69
Rot. Bonds4

About 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide

2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 55467617) has the molecular formula C18H18FN5O3S and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID55467617
Molecular FormulaC18H18FN5O3S
Molecular Weight403.44 g/mol
Exact Mass403.11
IUPAC Name2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN2C(=O)NC3(CCSC3)C2=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN5O3S/c1-11-8-14(24(22-11)13-4-2-12(19)3-5-13)20-15(25)9-23-16(26)18(21-17(23)27)6-7-28-10-18/h2-5,8H,6-7,9-10H2,1H3,(H,20,25)(H,21,27)
InChIKeyDRRTVCWJUWCCIM-UHFFFAOYSA-N
XLogP1.69
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide 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 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 55467617) is 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)CN2C(=O)NC3(CCSC3)C2=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is DRRTVCWJUWCCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S/c1-11-8-14(24(22-11)13-4-2-12(19)3-5-13)20-15(25)9-23-16(26)18(21-17(23)27)6-7-28-10-18/h2-5,8H,6-7,9-10H2,1H3,(H,20,25)(H,21,27).
What are the key properties of 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 55467617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).