2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

C25H29N5O2S — CID 50836633

IUPAC2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nccnc2N2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C25H29N5O2S/c1-18-7-8-19(2)22(15-18)29-11-13-30(14-12-29)24-25(27-10-9-26-24)33-17-23(31)28-20-5-4-6-21(16-20)32-3/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,31)
InChIKeyPCXLANHZWUZPMP-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.16
Rot. Bonds7

About 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 50836633) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID50836633
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nccnc2N2CCN(c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C25H29N5O2S/c1-18-7-8-19(2)22(15-18)29-11-13-30(14-12-29)24-25(27-10-9-26-24)33-17-23(31)28-20-5-4-6-21(16-20)32-3/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,31)
InChIKeyPCXLANHZWUZPMP-UHFFFAOYSA-N
XLogP4.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 50838395
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721436
2-[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-N-(3,5-dimethoxyphenyl)acetamide
CID 46393622
N-(3-methylsulfanylphenyl)-2-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanylacetamide
CID 46393605
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509399
N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919448
2-[[4-(2,5-dimethylphenyl)-5-[(2,6-dioxo-1,3-diazinan-4-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 78352436
methyl 2-[[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetyl]amino]benzoate
CID 46393668
N-(3-methoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1153812
2-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)acetamide
CID 56920709
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 53109043

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 50836633) is 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nccnc2N2CCN(c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is PCXLANHZWUZPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-18-7-8-19(2)22(15-18)29-11-13-30(14-12-29)24-25(27-10-9-26-24)33-17-23(31)28-20-5-4-6-21(16-20)32-3/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,31).
What are the key properties of 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 463.61 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 50836633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).