2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide

C23H21F2N3O4S — CID 25262438

IUPAC2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide
SMILESO=C(Nc1cnccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C23H21F2N3O4S/c24-16-7-10-20(19(25)13-16)32-22(23(29)28-21-14-26-11-12-27-21)15-5-8-18(9-6-15)33(30,31)17-3-1-2-4-17/h5-14,17,22H,1-4H2,(H,27,28,29)
InChIKeyOTSACVAFYXSPQQ-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.23
Rot. Bonds7

About 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide

2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide (PubChem CID 25262438) has the molecular formula C23H21F2N3O4S and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide
PubChem CID25262438
Molecular FormulaC23H21F2N3O4S
Molecular Weight473.50 g/mol
Exact Mass473.12
IUPAC Name2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide
SMILESO=C(Nc1cnccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C23H21F2N3O4S/c24-16-7-10-20(19(25)13-16)32-22(23(29)28-21-14-26-11-12-27-21)15-5-8-18(9-6-15)33(30,31)17-3-1-2-4-17/h5-14,17,22H,1-4H2,(H,27,28,29)
InChIKeyOTSACVAFYXSPQQ-UHFFFAOYSA-N
XLogP4.23
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide (CID 25262438) is 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide is O=C(Nc1cnccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide?
The InChIKey is OTSACVAFYXSPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O4S/c24-16-7-10-20(19(25)13-16)32-22(23(29)28-21-14-26-11-12-27-21)15-5-8-18(9-6-15)33(30,31)17-3-1-2-4-17/h5-14,17,22H,1-4H2,(H,27,28,29).
What are the key properties of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide?
2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide has a molecular weight of 473.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 25262438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).