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

C23H23F2N3O4S — CID 25262746

IUPAC2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCCC3)cc2)n1
InChIInChI=1S/C23H23F2N3O4S/c1-28-13-12-21(27-28)26-23(29)22(32-20-11-8-16(24)14-19(20)25)15-6-9-18(10-7-15)33(30,31)17-4-2-3-5-17/h6-14,17,22H,2-5H2,1H3,(H,26,27,29)
InChIKeyCNRQXWWGJMORTF-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.17
Rot. Bonds7

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

2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 25262746) has the molecular formula C23H23F2N3O4S and a molecular weight of 475.52 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID25262746
Molecular FormulaC23H23F2N3O4S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC Name2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCCC3)cc2)n1
InChIInChI=1S/C23H23F2N3O4S/c1-28-13-12-21(27-28)26-23(29)22(32-20-11-8-16(24)14-19(20)25)15-6-9-18(10-7-15)33(30,31)17-4-2-3-5-17/h6-14,17,22H,2-5H2,1H3,(H,26,27,29)
InChIKeyCNRQXWWGJMORTF-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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Related Compounds

5-(2-fluoro-1-fluoromethyl-ethoxy)-3-(3-fluoro-4-methanesulfonylphenoxy)-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 23092962
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(1H-pyrazol-5-yl)propanamide
CID 24961240
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 25262588
2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 25262745
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 56592530
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 66616539
2-(2,4-difluorophenoxy)-2-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 66619068
2-(3-chloro-2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 67485798
2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 67486482
2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 67486544
2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 68776344
4-[[3-[[2-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]methyl]benzoic acid
CID 68776473

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (CID 25262746) is 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCCC3)cc2)n1.
What is the InChIKey of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is CNRQXWWGJMORTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O4S/c1-28-13-12-21(27-28)26-23(29)22(32-20-11-8-16(24)14-19(20)25)15-6-9-18(10-7-15)33(30,31)17-4-2-3-5-17/h6-14,17,22H,2-5H2,1H3,(H,26,27,29).
What are the key properties of 2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
2-(4-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-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 25262746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).