3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide

C23H26ClN3O2S — CID 26399275

About 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide

3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide (PubChem CID 26399275) has the molecular formula C23H26ClN3O2S and a molecular weight of 444.00 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide
• PubChem CID: 26399275
• Molecular Formula: C23H26ClN3O2S
• Molecular Weight: 444.00 g/mol
• Exact Mass: 443.14
• IUPAC Name: 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide
• SMILES: Cc1nc(CN(C)Cc2ccc(OCCN(C)C(=O)c3cccc(Cl)c3)cc2)cs1
• InChI: InChI=1S/C23H26ClN3O2S/c1-17-25-21(16-30-17)15-26(2)14-18-7-9-22(10-8-18)29-12-11-27(3)23(28)19-5-4-6-20(24)13-19/h4-10,13,16H,11-12,14-15H2,1-3H3
• InChIKey: HNMYDLROYDOFIG-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.00
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide?

The IUPAC name of 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide (CID 26399275) is 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide.

What is the SMILES notation for 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide?

The canonical SMILES for 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide is Cc1nc(CN(C)Cc2ccc(OCCN(C)C(=O)c3cccc(Cl)c3)cc2)cs1.

What is the InChIKey of 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide?

The InChIKey is HNMYDLROYDOFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2S/c1-17-25-21(16-30-17)15-26(2)14-18-7-9-22(10-8-18)29-12-11-27(3)23(28)19-5-4-6-20(24)13-19/h4-10,13,16H,11-12,14-15H2,1-3H3.

What are the key properties of 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide?

3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide has a molecular weight of 444.00 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-methyl-N-[2-[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]ethyl]benzamide is sourced from PubChem (CID 26399275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).