2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide

C14H16FN3OS — CID 37394462

IUPAC2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCCn1cccn1
InChIInChI=1S/C14H16FN3OS/c15-12-3-5-13(6-4-12)20-11-14(19)16-7-1-9-18-10-2-8-17-18/h2-6,8,10H,1,7,9,11H2,(H,16,19)
InChIKeyFARAUUKSEBLADZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.32
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 37394462) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID37394462
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCCn1cccn1
InChIInChI=1S/C14H16FN3OS/c15-12-3-5-13(6-4-12)20-11-14(19)16-7-1-9-18-10-2-8-17-18/h2-6,8,10H,1,7,9,11H2,(H,16,19)
InChIKeyFARAUUKSEBLADZ-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)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-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide (CID 37394462) is 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide is O=C(CSc1ccc(F)cc1)NCCCn1cccn1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is FARAUUKSEBLADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c15-12-3-5-13(6-4-12)20-11-14(19)16-7-1-9-18-10-2-8-17-18/h2-6,8,10H,1,7,9,11H2,(H,16,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 37394462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).