2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide

C15H15N5O3S — CID 141383298

IUPAC2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide
SMILESCc1cccc(S(=O)(=O)N(CC(N)=O)c2cnc3[nH]ccc3n2)c1
InChIInChI=1S/C15H15N5O3S/c1-10-3-2-4-11(7-10)24(22,23)20(9-13(16)21)14-8-18-15-12(19-14)5-6-17-15/h2-8H,9H2,1H3,(H2,16,21)(H,17,18)
InChIKeyHCZOLGYESFVPQB-UHFFFAOYSA-N
MW345.38 g/mol
LogP0.95
Rot. Bonds5

About 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide

2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide (PubChem CID 141383298) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide
PubChem CID141383298
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide
SMILESCc1cccc(S(=O)(=O)N(CC(N)=O)c2cnc3[nH]ccc3n2)c1
InChIInChI=1S/C15H15N5O3S/c1-10-3-2-4-11(7-10)24(22,23)20(9-13(16)21)14-8-18-15-12(19-14)5-6-17-15/h2-8H,9H2,1H3,(H2,16,21)(H,17,18)
InChIKeyHCZOLGYESFVPQB-UHFFFAOYSA-N
XLogP0.95
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide?
The IUPAC name of 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide (CID 141383298) is 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide is Cc1cccc(S(=O)(=O)N(CC(N)=O)c2cnc3[nH]ccc3n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide?
The InChIKey is HCZOLGYESFVPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-10-3-2-4-11(7-10)24(22,23)20(9-13(16)21)14-8-18-15-12(19-14)5-6-17-15/h2-8H,9H2,1H3,(H2,16,21)(H,17,18).
What are the key properties of 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide?
2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide has a molecular weight of 345.38 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide is sourced from PubChem (CID 141383298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).