2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone

C18H18F2N2OS — CID 119402882

IUPAC2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone
SMILESO=C(C(Sc1ccc(F)cc1F)c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H18F2N2OS/c19-14-6-7-16(15(20)12-14)24-17(13-4-2-1-3-5-13)18(23)22-10-8-21-9-11-22/h1-7,12,17,21H,8-11H2
InChIKeyHNDMYVDZOCVLGS-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.23
Rot. Bonds4

About 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone (PubChem CID 119402882) has the molecular formula C18H18F2N2OS and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone
PubChem CID119402882
Molecular FormulaC18H18F2N2OS
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone
SMILESO=C(C(Sc1ccc(F)cc1F)c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H18F2N2OS/c19-14-6-7-16(15(20)12-14)24-17(13-4-2-1-3-5-13)18(23)22-10-8-21-9-11-22/h1-7,12,17,21H,8-11H2
InChIKeyHNDMYVDZOCVLGS-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
(2R)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887995
(2S)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetic acid
CID 51887993
1-[4-(aminomethyl)piperidin-1-yl]-2-(2,5-difluorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 119423328
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,4-difluorophenyl)sulfanyl-2-phenylacetamide
CID 119458435
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
CID 103603359
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463362
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-(2-piperidin-3-ylethyl)acetamide
CID 119558315
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-difluorophenyl)sulfanyl-2-phenylethanone
CID 120818251
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
(2R)-2-(2,4-difluorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 9046235

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone (CID 119402882) is 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone is O=C(C(Sc1ccc(F)cc1F)c1ccccc1)N1CCNCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone?
The InChIKey is HNDMYVDZOCVLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2OS/c19-14-6-7-16(15(20)12-14)24-17(13-4-2-1-3-5-13)18(23)22-10-8-21-9-11-22/h1-7,12,17,21H,8-11H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone?
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone has a molecular weight of 348.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-2-phenyl-1-piperazin-1-ylethanone is sourced from PubChem (CID 119402882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).