2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide

C17H18N6O4S — CID 121020043

IUPAC2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide
SMILESCn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H18N6O4S/c1-23-12(8-15(22-23)16-10-19-6-7-20-16)9-21-28(25,26)14-4-2-13(3-5-14)27-11-17(18)24/h2-8,10,21H,9,11H2,1H3,(H2,18,24)
InChIKeyKTEBYAAVAHNXMG-UHFFFAOYSA-N
MW402.44 g/mol
LogP0.22
Rot. Bonds8

About 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide

2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide (PubChem CID 121020043) has the molecular formula C17H18N6O4S and a molecular weight of 402.44 g/mol. Its IUPAC name is 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide
PubChem CID121020043
Molecular FormulaC17H18N6O4S
Molecular Weight402.44 g/mol
Exact Mass402.11
IUPAC Name2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide
SMILESCn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C17H18N6O4S/c1-23-12(8-15(22-23)16-10-19-6-7-20-16)9-21-28(25,26)14-4-2-13(3-5-14)27-11-17(18)24/h2-8,10,21H,9,11H2,1H3,(H2,18,24)
InChIKeyKTEBYAAVAHNXMG-UHFFFAOYSA-N
XLogP0.22
TPSA142.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3-pyrazol-1-ylpropylsulfamoyl)phenoxy]acetamide
CID 100814421
2-[4-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenoxy]acetamide
CID 121022149
ethyl 2-[4-(pyridin-3-ylmethylsulfamoyl)phenoxy]acetate
CID 1082995
2-[4-[(3-thiophen-2-ylpyrazin-2-yl)methylsulfamoyl]phenoxy]acetamide
CID 122163141
2-[[4-(2-amino-2-oxoethoxy)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 100814427
(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide
CID 129355114
2-[4-[[3-methyl-1-(triazol-2-yl)butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 121177040
3-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 121020128
2-[(4-ethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673488
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100648532
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
2-[4-[(2-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5024533

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide (CID 121020043) is 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide is Cn1nc(-c2cnccn2)cc1CNS(=O)(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide?
The InChIKey is KTEBYAAVAHNXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4S/c1-23-12(8-15(22-23)16-10-19-6-7-20-16)9-21-28(25,26)14-4-2-13(3-5-14)27-11-17(18)24/h2-8,10,21H,9,11H2,1H3,(H2,18,24).
What are the key properties of 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide?
2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide has a molecular weight of 402.44 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 121020043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).