2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide

C13H18N6O3S — CID 122243731

IUPAC2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCn1ccnc1-c1cnccn1)S(C)(=O)=O
InChIInChI=1S/C13H18N6O3S/c1-18(23(2,21)22)10-12(20)16-5-7-19-8-6-17-13(19)11-9-14-3-4-15-11/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,16,20)
InChIKeyCOMWBTPICOHKOF-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.65
Rot. Bonds7

About 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide (PubChem CID 122243731) has the molecular formula C13H18N6O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
PubChem CID122243731
Molecular FormulaC13H18N6O3S
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCN(CC(=O)NCCn1ccnc1-c1cnccn1)S(C)(=O)=O
InChIInChI=1S/C13H18N6O3S/c1-18(23(2,21)22)10-12(20)16-5-7-19-8-6-17-13(19)11-9-14-3-4-15-11/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,16,20)
InChIKeyCOMWBTPICOHKOF-UHFFFAOYSA-N
XLogP-0.65
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide (CID 122243731) is 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide is CN(CC(=O)NCCn1ccnc1-c1cnccn1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
The InChIKey is COMWBTPICOHKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3S/c1-18(23(2,21)22)10-12(20)16-5-7-19-8-6-17-13(19)11-9-14-3-4-15-11/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,16,20).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide has a molecular weight of 338.39 g/mol, XLogP of -0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 122243731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).