2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide

C21H28N4O2S — CID 95092369

IUPAC2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
SMILESCc1ccccc1Oc1nccnc1SCC(=O)NCCN1CCC[C@@H](C)C1
InChIInChI=1S/C21H28N4O2S/c1-16-6-5-12-25(14-16)13-11-22-19(26)15-28-21-20(23-9-10-24-21)27-18-8-4-3-7-17(18)2/h3-4,7-10,16H,5-6,11-15H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyWGQGNQYBEYPAHJ-MRXNPFEDSA-N
MW400.55 g/mol
LogP3.52
Rot. Bonds8

About 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide

2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide (PubChem CID 95092369) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
PubChem CID95092369
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC Name2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
SMILESCc1ccccc1Oc1nccnc1SCC(=O)NCCN1CCC[C@@H](C)C1
InChIInChI=1S/C21H28N4O2S/c1-16-6-5-12-25(14-16)13-11-22-19(26)15-28-21-20(23-9-10-24-21)27-18-8-4-3-7-17(18)2/h3-4,7-10,16H,5-6,11-15H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyWGQGNQYBEYPAHJ-MRXNPFEDSA-N
XLogP3.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130184
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 94115482
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 92883206
2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 54774623
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
2-(methylamino)-1-[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823499

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide (CID 95092369) is 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide is Cc1ccccc1Oc1nccnc1SCC(=O)NCCN1CCC[C@@H](C)C1.
What is the InChIKey of 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
The InChIKey is WGQGNQYBEYPAHJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-16-6-5-12-25(14-16)13-11-22-19(26)15-28-21-20(23-9-10-24-21)27-18-8-4-3-7-17(18)2/h3-4,7-10,16H,5-6,11-15H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide?
2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide has a molecular weight of 400.55 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 95092369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).