2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide

C22H19ClFN3O5S2 — CID 25261835

IUPAC2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide
SMILESO=C1CC(S(=O)(=O)c2ccc(C(Oc3ccc(Cl)cc3)C(=O)Nc3ncc(F)s3)cc2)CCN1
InChIInChI=1S/C22H19ClFN3O5S2/c23-14-3-5-15(6-4-14)32-20(21(29)27-22-26-12-18(24)33-22)13-1-7-16(8-2-13)34(30,31)17-9-10-25-19(28)11-17/h1-8,12,17,20H,9-11H2,(H,25,28)(H,26,27,29)
InChIKeyZDIIVQAWMAKHDF-UHFFFAOYSA-N
MW524.00 g/mol
LogP3.75
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide

2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide (PubChem CID 25261835) has the molecular formula C22H19ClFN3O5S2 and a molecular weight of 524.00 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide
PubChem CID25261835
Molecular FormulaC22H19ClFN3O5S2
Molecular Weight524.00 g/mol
Exact Mass523.04
IUPAC Name2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide
SMILESO=C1CC(S(=O)(=O)c2ccc(C(Oc3ccc(Cl)cc3)C(=O)Nc3ncc(F)s3)cc2)CCN1
InChIInChI=1S/C22H19ClFN3O5S2/c23-14-3-5-15(6-4-14)32-20(21(29)27-22-26-12-18(24)33-22)13-1-7-16(8-2-13)34(30,31)17-9-10-25-19(28)11-17/h1-8,12,17,20H,9-11H2,(H,25,28)(H,26,27,29)
InChIKeyZDIIVQAWMAKHDF-UHFFFAOYSA-N
XLogP3.75
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.00
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide (CID 25261835) is 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide is O=C1CC(S(=O)(=O)c2ccc(C(Oc3ccc(Cl)cc3)C(=O)Nc3ncc(F)s3)cc2)CCN1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide?
The InChIKey is ZDIIVQAWMAKHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O5S2/c23-14-3-5-15(6-4-14)32-20(21(29)27-22-26-12-18(24)33-22)13-1-7-16(8-2-13)34(30,31)17-9-10-25-19(28)11-17/h1-8,12,17,20H,9-11H2,(H,25,28)(H,26,27,29).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide?
2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide has a molecular weight of 524.00 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(2-oxopiperidin-4-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 25261835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).