2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide

C22H20ClFN2O5S2 — CID 25261522

IUPAC2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCOCC2)cc1
InChIInChI=1S/C22H20ClFN2O5S2/c23-15-3-5-16(6-4-15)31-20(21(27)26-22-25-13-19(24)32-22)14-1-7-17(8-2-14)33(28,29)18-9-11-30-12-10-18/h1-8,13,18,20H,9-12H2,(H,25,26,27)
InChIKeyNXGPREARZCLQSE-UHFFFAOYSA-N
MW511.00 g/mol
LogP4.65
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide

2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide (PubChem CID 25261522) has the molecular formula C22H20ClFN2O5S2 and a molecular weight of 511.00 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide
PubChem CID25261522
Molecular FormulaC22H20ClFN2O5S2
Molecular Weight511.00 g/mol
Exact Mass510.05
IUPAC Name2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide
SMILESO=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCOCC2)cc1
InChIInChI=1S/C22H20ClFN2O5S2/c23-15-3-5-16(6-4-15)31-20(21(27)26-22-25-13-19(24)32-22)14-1-7-17(8-2-14)33(28,29)18-9-11-30-12-10-18/h1-8,13,18,20H,9-12H2,(H,25,26,27)
InChIKeyNXGPREARZCLQSE-UHFFFAOYSA-N
XLogP4.65
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.00
LogP ≤ 54.65
H-Bond Donors ≤ 51
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-(oxan-4-ylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide (CID 25261522) is 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide is O=C(Nc1ncc(F)s1)C(Oc1ccc(Cl)cc1)c1ccc(S(=O)(=O)C2CCOCC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide?
The InChIKey is NXGPREARZCLQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O5S2/c23-15-3-5-16(6-4-15)31-20(21(27)26-22-25-13-19(24)32-22)14-1-7-17(8-2-14)33(28,29)18-9-11-30-12-10-18/h1-8,13,18,20H,9-12H2,(H,25,26,27).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetamide has a molecular weight of 511.00 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 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-(oxan-4-ylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 25261522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).