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

C23H23F2N3O4S — CID 68776344

IUPAC2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccccc2S(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C23H23F2N3O4S/c1-28-13-12-21(27-28)26-23(29)22(32-19-11-10-15(24)14-18(19)25)17-8-4-5-9-20(17)33(30,31)16-6-2-3-7-16/h4-5,8-14,16,22H,2-3,6-7H2,1H3,(H,26,27,29)
InChIKeyRWTMIFGOKMWFPE-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.17
Rot. Bonds7

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

2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 68776344) has the molecular formula C23H23F2N3O4S and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID68776344
Molecular FormulaC23H23F2N3O4S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC Name2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccccc2S(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C23H23F2N3O4S/c1-28-13-12-21(27-28)26-23(29)22(32-19-11-10-15(24)14-18(19)25)17-8-4-5-9-20(17)33(30,31)16-6-2-3-7-16/h4-5,8-14,16,22H,2-3,6-7H2,1H3,(H,26,27,29)
InChIKeyRWTMIFGOKMWFPE-UHFFFAOYSA-N
XLogP4.17
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (CID 68776344) is 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccccc2S(=O)(=O)C2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is RWTMIFGOKMWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4S/c1-28-13-12-21(27-28)26-23(29)22(32-19-11-10-15(24)14-18(19)25)17-8-4-5-9-20(17)33(30,31)16-6-2-3-7-16/h4-5,8-14,16,22H,2-3,6-7H2,1H3,(H,26,27,29).
What are the key properties of 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 475.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 68776344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).