2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

C15H17N3O2S — CID 90651685

IUPAC2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCOc1cccc(SCC(=O)N(C)Cc2cnccn2)c1
InChIInChI=1S/C15H17N3O2S/c1-18(10-12-9-16-6-7-17-12)15(19)11-21-14-5-3-4-13(8-14)20-2/h3-9H,10-11H2,1-2H3
InChIKeyUARPKKDBBPUGMP-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.24
Rot. Bonds6

About 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 90651685) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID90651685
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCOc1cccc(SCC(=O)N(C)Cc2cnccn2)c1
InChIInChI=1S/C15H17N3O2S/c1-18(10-12-9-16-6-7-17-12)15(19)11-21-14-5-3-4-13(8-14)20-2/h3-9H,10-11H2,1-2H3
InChIKeyUARPKKDBBPUGMP-UHFFFAOYSA-N
XLogP2.24
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 35041609
N-(3-amino-2,2-dimethylpropyl)-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide;hydrochloride
CID 119656300
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
2-(3-methoxyphenyl)sulfanyl-N-(2-methylpropyl)-N-(pyridin-3-ylmethyl)acetamide
CID 131924399
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 86283847
N-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)sulfanyl-N-methylacetamide
CID 97260253
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide
CID 46988998
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 34656415
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 72926210

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (CID 90651685) is 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is COc1cccc(SCC(=O)N(C)Cc2cnccn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is UARPKKDBBPUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(10-12-9-16-6-7-17-12)15(19)11-21-14-5-3-4-13(8-14)20-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 303.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 90651685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).