N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide

C26H31N5OS — CID 46393573

IUPACN-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccnc2N2CCN(c3cccc(C)c3C)CC2)c(C)c1
InChIInChI=1S/C26H31N5OS/c1-18-8-9-22(20(3)16-18)29-24(32)17-33-26-25(27-10-11-28-26)31-14-12-30(13-15-31)23-7-5-6-19(2)21(23)4/h5-11,16H,12-15,17H2,1-4H3,(H,29,32)
InChIKeyRVKLGBFBXZRUIK-UHFFFAOYSA-N
MW461.64 g/mol
LogP4.77
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide

N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide (PubChem CID 46393573) has the molecular formula C26H31N5OS and a molecular weight of 461.64 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
PubChem CID46393573
Molecular FormulaC26H31N5OS
Molecular Weight461.64 g/mol
Exact Mass461.22
IUPAC NameN-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccnc2N2CCN(c3cccc(C)c3C)CC2)c(C)c1
InChIInChI=1S/C26H31N5OS/c1-18-8-9-22(20(3)16-18)29-24(32)17-33-26-25(27-10-11-28-26)31-14-12-30(13-15-31)23-7-5-6-19(2)21(23)4/h5-11,16H,12-15,17H2,1-4H3,(H,29,32)
InChIKeyRVKLGBFBXZRUIK-UHFFFAOYSA-N
XLogP4.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.64
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 46393595
2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-1-piperidin-1-ylethanone
CID 46393597
2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 50836633
N-(5-chloro-2-methoxyphenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 50838395
N-(2-ethoxyphenyl)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 46393657
methyl 2-[[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetyl]amino]benzoate
CID 46393668
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
methyl 5-chloro-2-[[2-[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanylacetyl]amino]benzoate
CID 50838463
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
N-(2,4-dimethoxyphenyl)-2-(3-piperidin-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919448
N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109092
N-(2,4-dimethylphenyl)-2-(4-methylphthalazin-1-yl)sulfanylacetamide
CID 6401674

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide (CID 46393573) is N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nccnc2N2CCN(c3cccc(C)c3C)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The InChIKey is RVKLGBFBXZRUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5OS/c1-18-8-9-22(20(3)16-18)29-24(32)17-33-26-25(27-10-11-28-26)31-14-12-30(13-15-31)23-7-5-6-19(2)21(23)4/h5-11,16H,12-15,17H2,1-4H3,(H,29,32).
What are the key properties of N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide has a molecular weight of 461.64 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46393573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).