N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C24H26ClN3O3S — CID 60596892

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 60596892) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 60596892
• Molecular Formula: C24H26ClN3O3S
• Molecular Weight: 472.01 g/mol
• Exact Mass: 471.14
• IUPAC Name: N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2cccc(C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)c2)cs1
• InChI: InChI=1S/C24H26ClN3O3S/c1-17-27-21(16-32-17)15-31-22-4-2-3-19(13-22)24(29)26-14-23(28-9-11-30-12-10-28)18-5-7-20(25)8-6-18/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,26,29)
• InChIKey: OGFVMFKFBBFYET-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.01
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 60596892) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)NCC(c3ccc(Cl)cc3)N3CCOCC3)c2)cs1.

What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The InChIKey is OGFVMFKFBBFYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c1-17-27-21(16-32-17)15-31-22-4-2-3-19(13-22)24(29)26-14-23(28-9-11-30-12-10-28)18-5-7-20(25)8-6-18/h2-8,13,16,23H,9-12,14-15H2,1H3,(H,26,29).

What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 472.01 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 60596892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).