2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H24F2N4O4S — CID 66616539

IUPAC2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C23H24F2N4O4S/c1-28-14-11-21(27-28)26-23(30)22(33-20-10-7-17(24)15-19(20)25)16-5-8-18(9-6-16)34(31,32)29-12-3-2-4-13-29/h5-11,14-15,22H,2-4,12-13H2,1H3,(H,26,27,30)
InChIKeyCBEFRSAVHUYMKY-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.63
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 66616539) has the molecular formula C23H24F2N4O4S and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID66616539
Molecular FormulaC23H24F2N4O4S
Molecular Weight490.53 g/mol
Exact Mass490.15
IUPAC Name2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C23H24F2N4O4S/c1-28-14-11-21(27-28)26-23(30)22(33-20-10-7-17(24)15-19(20)25)16-5-8-18(9-6-16)34(31,32)29-12-3-2-4-13-29/h5-11,14-15,22H,2-4,12-13H2,1H3,(H,26,27,30)
InChIKeyCBEFRSAVHUYMKY-UHFFFAOYSA-N
XLogP3.63
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 66616539) is 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is CBEFRSAVHUYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4S/c1-28-14-11-21(27-28)26-23(30)22(33-20-10-7-17(24)15-19(20)25)16-5-8-18(9-6-16)34(31,32)29-12-3-2-4-13-29/h5-11,14-15,22H,2-4,12-13H2,1H3,(H,26,27,30).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 490.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 66616539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).