2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

C23H25N5O5S — CID 42318009

IUPAC2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C23H25N5O5S/c1-32-20-4-2-3-5-21(20)33-17-23(29)26-18-6-8-19(9-7-18)34(30,31)28-14-12-27(13-15-28)22-16-24-10-11-25-22/h2-11,16H,12-15,17H2,1H3,(H,26,29)
InChIKeyMMRGBQAUWCOZJK-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.01
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 42318009) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID42318009
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C23H25N5O5S/c1-32-20-4-2-3-5-21(20)33-17-23(29)26-18-6-8-19(9-7-18)34(30,31)28-14-12-27(13-15-28)22-16-24-10-11-25-22/h2-11,16H,12-15,17H2,1H3,(H,26,29)
InChIKeyMMRGBQAUWCOZJK-UHFFFAOYSA-N
XLogP2.01
TPSA113.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-phenyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318039
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
2-(4-ethoxyphenyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318049
2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317816
2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 42317806
2-fluoro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317902
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
CID 42317966
3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317857
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252
2-(difluoromethylsulfanyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42318251
N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-3-yloxyacetamide
CID 56943285

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 42318009) is 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is MMRGBQAUWCOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-32-20-4-2-3-5-21(20)33-17-23(29)26-18-6-8-19(9-7-18)34(30,31)28-14-12-27(13-15-28)22-16-24-10-11-25-22/h2-11,16H,12-15,17H2,1H3,(H,26,29).
What are the key properties of 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 483.55 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 42318009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).