3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide

C21H21N3O5S — CID 126537956

About 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide (PubChem CID 126537956) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
• PubChem CID: 126537956
• Molecular Formula: C21H21N3O5S
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.12
• IUPAC Name: 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
• SMILES: CNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC
• InChI: InChI=1S/C21H21N3O5S/c1-22-19(25)11-29-17-9-6-14(10-18(17)28-3)20(26)24-21-23-16(12-30-21)13-4-7-15(27-2)8-5-13/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,24,26)
• InChIKey: BQNMADWBGFZEEF-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 98.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?

The IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide (CID 126537956) is 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide.

What is the SMILES notation for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?

The canonical SMILES for 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide is CNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1OC.

What is the InChIKey of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?

The InChIKey is BQNMADWBGFZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-22-19(25)11-29-17-9-6-14(10-18(17)28-3)20(26)24-21-23-16(12-30-21)13-4-7-15(27-2)8-5-13/h4-10,12H,11H2,1-3H3,(H,22,25)(H,23,24,26).

What are the key properties of 3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide?

3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-[2-(methylamino)-2-oxoethoxy]benzamide has a molecular weight of 427.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-(methylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 126537956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).