2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide

C22H20F2N4O5S — CID 56592621

IUPAC2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide
SMILESO=C(Nc1cnccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H20F2N4O5S/c23-16-3-6-19(18(24)13-16)33-21(22(29)27-20-14-25-7-8-26-20)15-1-4-17(5-2-15)34(30,31)28-9-11-32-12-10-28/h1-8,13-14,21H,9-12H2,(H,26,27,29)
InChIKeyBKDWGZPTIVONDU-UHFFFAOYSA-N
MW490.49 g/mol
LogP2.53
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide

2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide (PubChem CID 56592621) has the molecular formula C22H20F2N4O5S and a molecular weight of 490.49 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide
PubChem CID56592621
Molecular FormulaC22H20F2N4O5S
Molecular Weight490.49 g/mol
Exact Mass490.11
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide
SMILESO=C(Nc1cnccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H20F2N4O5S/c23-16-3-6-19(18(24)13-16)33-21(22(29)27-20-14-25-7-8-26-20)15-1-4-17(5-2-15)34(30,31)28-9-11-32-12-10-28/h1-8,13-14,21H,9-12H2,(H,26,27,29)
InChIKeyBKDWGZPTIVONDU-UHFFFAOYSA-N
XLogP2.53
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide (CID 56592621) is 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide is O=C(Nc1cnccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide?
The InChIKey is BKDWGZPTIVONDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O5S/c23-16-3-6-19(18(24)13-16)33-21(22(29)27-20-14-25-7-8-26-20)15-1-4-17(5-2-15)34(30,31)28-9-11-32-12-10-28/h1-8,13-14,21H,9-12H2,(H,26,27,29).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide?
2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide has a molecular weight of 490.49 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 56592621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).