N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide

C16H20F2N4O2S — CID 78810204

IUPACN-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)NC1CC1
InChIInChI=1S/C16H20F2N4O2S/c17-16(18)25-14-12(2-1-5-19-14)15(24)22-8-6-21(7-9-22)10-13(23)20-11-3-4-11/h1-2,5,11,16H,3-4,6-10H2,(H,20,23)
InChIKeyZWXPIZVARIJIGG-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.43
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 78810204) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
PubChem CID78810204
Molecular FormulaC16H20F2N4O2S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC NameN-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)NC1CC1
InChIInChI=1S/C16H20F2N4O2S/c17-16(18)25-14-12(2-1-5-19-14)15(24)22-8-6-21(7-9-22)10-13(23)20-11-3-4-11/h1-2,5,11,16H,3-4,6-10H2,(H,20,23)
InChIKeyZWXPIZVARIJIGG-UHFFFAOYSA-N
XLogP1.43
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-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 N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide (CID 78810204) is N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccnc2SC(F)F)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is ZWXPIZVARIJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c17-16(18)25-14-12(2-1-5-19-14)15(24)22-8-6-21(7-9-22)10-13(23)20-11-3-4-11/h1-2,5,11,16H,3-4,6-10H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78810204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).