2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

C22H20ClFN2O4S2 — CID 25262439

IUPAC2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C22H20ClFN2O4S2/c23-15-7-9-16(10-8-15)30-20(21(27)26-22-25-13-19(24)31-22)14-5-11-18(12-6-14)32(28,29)17-3-1-2-4-17/h5-13,17,20H,1-4H2,(H,25,26,27)
InChIKeyXEUAYCMUTCOTKV-UHFFFAOYSA-N
MW495.00 g/mol
LogP5.41
Rot. Bonds7

About 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide

2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (PubChem CID 25262439) has the molecular formula C22H20ClFN2O4S2 and a molecular weight of 495.00 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
PubChem CID25262439
Molecular FormulaC22H20ClFN2O4S2
Molecular Weight495.00 g/mol
Exact Mass494.05
IUPAC Name2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C22H20ClFN2O4S2/c23-15-7-9-16(10-8-15)30-20(21(27)26-22-25-13-19(24)31-22)14-5-11-18(12-6-14)32(28,29)17-3-1-2-4-17/h5-13,17,20H,1-4H2,(H,25,26,27)
InChIKeyXEUAYCMUTCOTKV-UHFFFAOYSA-N
XLogP5.41
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.00
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide (CID 25262439) is 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is O=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
The InChIKey is XEUAYCMUTCOTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S2/c23-15-7-9-16(10-8-15)30-20(21(27)26-22-25-13-19(24)31-22)14-5-11-18(12-6-14)32(28,29)17-3-1-2-4-17/h5-13,17,20H,1-4H2,(H,25,26,27).
What are the key properties of 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide?
2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide has a molecular weight of 495.00 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-(4-cyclopentylsulfonylphenyl)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 25262439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).