1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone

C24H26N4OS2 — CID 50835964

IUPAC1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone
SMILESCc1cccc(Sc2nccnc2SCC(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C24H26N4OS2/c1-18-5-3-7-20(15-18)27-11-13-28(14-12-27)22(29)17-30-23-24(26-10-9-25-23)31-21-8-4-6-19(2)16-21/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyNNDYVUWYTHEAIP-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.69
Rot. Bonds6

About 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone

1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone (PubChem CID 50835964) has the molecular formula C24H26N4OS2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone
PubChem CID50835964
Molecular FormulaC24H26N4OS2
Molecular Weight450.63 g/mol
Exact Mass450.15
IUPAC Name1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone
SMILESCc1cccc(Sc2nccnc2SCC(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C24H26N4OS2/c1-18-5-3-7-20(15-18)27-11-13-28(14-12-27)22(29)17-30-23-24(26-10-9-25-23)31-21-8-4-6-19(2)16-21/h3-10,15-16H,11-14,17H2,1-2H3
InChIKeyNNDYVUWYTHEAIP-UHFFFAOYSA-N
XLogP4.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone with MolForge

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Related Compounds

1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylethanone
CID 50836121
1-(4-phenylpiperazin-1-yl)-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylethanone
CID 46392419
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone
CID 50834410
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
2-(4-methoxyphenyl)sulfanyl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 35875948
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
1-[4-(3-methylphenyl)piperazin-1-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)ethanone
CID 24578605
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 24567807
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylethanone
CID 53130155
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone?
The IUPAC name of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone (CID 50835964) is 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone.
What is the SMILES notation for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone?
The canonical SMILES for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone is Cc1cccc(Sc2nccnc2SCC(=O)N2CCN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone?
The InChIKey is NNDYVUWYTHEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS2/c1-18-5-3-7-20(15-18)27-11-13-28(14-12-27)22(29)17-30-23-24(26-10-9-25-23)31-21-8-4-6-19(2)16-21/h3-10,15-16H,11-14,17H2,1-2H3.
What are the key properties of 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone?
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone has a molecular weight of 450.63 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylethanone is sourced from PubChem (CID 50835964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).