3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide

C26H24N4O5S — CID 126509377

IUPAC3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccn4)c(OC)c3)n2)cc1
InChIInChI=1S/C26H24N4O5S/c1-33-20-9-6-17(7-10-20)21-16-36-26(29-21)30-25(32)18-8-11-22(23(13-18)34-2)35-15-24(31)28-14-19-5-3-4-12-27-19/h3-13,16H,14-15H2,1-2H3,(H,28,31)(H,29,30,32)
InChIKeyZBTHNILWSQLTAV-UHFFFAOYSA-N
MW504.57 g/mol
LogP4.17
Rot. Bonds10

About 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide (PubChem CID 126509377) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide
PubChem CID126509377
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC Name3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccn4)c(OC)c3)n2)cc1
InChIInChI=1S/C26H24N4O5S/c1-33-20-9-6-17(7-10-20)21-16-36-26(29-21)30-25(32)18-8-11-22(23(13-18)34-2)35-15-24(31)28-14-19-5-3-4-12-27-19/h3-13,16H,14-15H2,1-2H3,(H,28,31)(H,29,30,32)
InChIKeyZBTHNILWSQLTAV-UHFFFAOYSA-N
XLogP4.17
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide?
The IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide (CID 126509377) is 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)NCc4ccccn4)c(OC)c3)n2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide?
The InChIKey is ZBTHNILWSQLTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c1-33-20-9-6-17(7-10-20)21-16-36-26(29-21)30-25(32)18-8-11-22(23(13-18)34-2)35-15-24(31)28-14-19-5-3-4-12-27-19/h3-13,16H,14-15H2,1-2H3,(H,28,31)(H,29,30,32).
What are the key properties of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide?
3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide has a molecular weight of 504.57 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethoxy]benzamide is sourced from PubChem (CID 126509377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).