2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide

C25H28FN5OS — CID 50838375

IUPAC2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C25H28FN5OS/c1-18-4-3-5-22(19(18)2)30-12-14-31(15-13-30)24-25(28-11-10-27-24)33-17-23(32)29-16-20-6-8-21(26)9-7-20/h3-11H,12-17H2,1-2H3,(H,29,32)
InChIKeyANGJATIEUCHDJN-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.97
Rot. Bonds7

About 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide

2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 50838375) has the molecular formula C25H28FN5OS and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID50838375
Molecular FormulaC25H28FN5OS
Molecular Weight465.60 g/mol
Exact Mass465.20
IUPAC Name2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1cccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C25H28FN5OS/c1-18-4-3-5-22(19(18)2)30-12-14-31(15-13-30)24-25(28-11-10-27-24)33-17-23(32)29-16-20-6-8-21(26)9-7-20/h3-11H,12-17H2,1-2H3,(H,29,32)
InChIKeyANGJATIEUCHDJN-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide 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

N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 46393595
N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 46393573
2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-1-piperidin-1-ylethanone
CID 46393597
N-[(4-methylphenyl)methyl]-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919234
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 46393694
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-[(4-fluorophenyl)methyl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide
CID 22332549
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 53142274
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595674
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide (CID 50838375) is 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is Cc1cccc(N2CCN(c3nccnc3SCC(=O)NCc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ANGJATIEUCHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5OS/c1-18-4-3-5-22(19(18)2)30-12-14-31(15-13-30)24-25(28-11-10-27-24)33-17-23(32)29-16-20-6-8-21(26)9-7-20/h3-11H,12-17H2,1-2H3,(H,29,32).
What are the key properties of 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 50838375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).