N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide

C26H31N5O2S — CID 95919409

IUPACN-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nccnc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H31N5O2S/c1-3-29(19-21-9-5-4-6-10-21)24(32)20-34-26-25(27-13-14-28-26)31-17-15-30(16-18-31)22-11-7-8-12-23(22)33-2/h4-14H,3,15-20H2,1-2H3
InChIKeyFUMXLGDUOOAITL-UHFFFAOYSA-N
MW477.63 g/mol
LogP3.95
Rot. Bonds9

About N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide

N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide (PubChem CID 95919409) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
PubChem CID95919409
Molecular FormulaC26H31N5O2S
Molecular Weight477.63 g/mol
Exact Mass477.22
IUPAC NameN-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CSc1nccnc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H31N5O2S/c1-3-29(19-21-9-5-4-6-10-21)24(32)20-34-26-25(27-13-14-28-26)31-17-15-30(16-18-31)22-11-7-8-12-23(22)33-2/h4-14H,3,15-20H2,1-2H3
InChIKeyFUMXLGDUOOAITL-UHFFFAOYSA-N
XLogP3.95
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 46393694
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
2-[[5-benzyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
CID 7124239
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N,N-diethyl-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-yl]sulfanylacetamide
CID 3229847
N-[(4-ethoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687133
N-benzyl-N-ethyl-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide
CID 23825190
N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 112890988
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687143
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide (CID 95919409) is N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide is CCN(Cc1ccccc1)C(=O)CSc1nccnc1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
The InChIKey is FUMXLGDUOOAITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c1-3-29(19-21-9-5-4-6-10-21)24(32)20-34-26-25(27-13-14-28-26)31-17-15-30(16-18-31)22-11-7-8-12-23(22)33-2/h4-14H,3,15-20H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide?
N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide has a molecular weight of 477.63 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 95919409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).