2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide

C19H21N5O4S — CID 86266245

IUPAC2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide
SMILESCc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H21N5O4S/c1-14-12-18(15-6-8-21-9-7-15)23-24(14)11-10-22-29(26,27)17-4-2-16(3-5-17)28-13-19(20)25/h2-9,12,22H,10-11,13H2,1H3,(H2,20,25)
InChIKeyNSTJYEXTRREQCA-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.10
Rot. Bonds9

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

2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide (PubChem CID 86266245) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide
PubChem CID86266245
Molecular FormulaC19H21N5O4S
Molecular Weight415.48 g/mol
Exact Mass415.13
IUPAC Name2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide
SMILESCc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H21N5O4S/c1-14-12-18(15-6-8-21-9-7-15)23-24(14)11-10-22-29(26,27)17-4-2-16(3-5-17)28-13-19(20)25/h2-9,12,22H,10-11,13H2,1H3,(H2,20,25)
InChIKeyNSTJYEXTRREQCA-UHFFFAOYSA-N
XLogP1.10
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide (CID 86266245) is 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide is Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide?
The InChIKey is NSTJYEXTRREQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-14-12-18(15-6-8-21-9-7-15)23-24(14)11-10-22-29(26,27)17-4-2-16(3-5-17)28-13-19(20)25/h2-9,12,22H,10-11,13H2,1H3,(H2,20,25).
What are the key properties of 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide?
2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide has a molecular weight of 415.48 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethylsulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 86266245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).