2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide

C22H22F2N4O4S — CID 66619068

IUPAC2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22F2N4O4S/c23-16-6-9-19(18(24)14-16)32-21(22(29)26-20-10-11-25-27-20)15-4-7-17(8-5-15)33(30,31)28-12-2-1-3-13-28/h4-11,14,21H,1-3,12-13H2,(H2,25,26,27,29)
InChIKeyFAGMYSYEEHGJSL-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.62
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide

2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 66619068) has the molecular formula C22H22F2N4O4S and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide
PubChem CID66619068
Molecular FormulaC22H22F2N4O4S
Molecular Weight476.51 g/mol
Exact Mass476.13
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22F2N4O4S/c23-16-6-9-19(18(24)14-16)32-21(22(29)26-20-10-11-25-27-20)15-4-7-17(8-5-15)33(30,31)28-12-2-1-3-13-28/h4-11,14,21H,1-3,12-13H2,(H2,25,26,27,29)
InChIKeyFAGMYSYEEHGJSL-UHFFFAOYSA-N
XLogP3.62
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide (CID 66619068) is 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide is O=C(Nc1ccn[nH]1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is FAGMYSYEEHGJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O4S/c23-16-6-9-19(18(24)14-16)32-21(22(29)26-20-10-11-25-27-20)15-4-7-17(8-5-15)33(30,31)28-12-2-1-3-13-28/h4-11,14,21H,1-3,12-13H2,(H2,25,26,27,29).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide?
2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 476.51 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 66619068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).