N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide

C25H23N3O3S — CID 46456770

About N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 46456770) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide
• PubChem CID: 46456770
• Molecular Formula: C25H23N3O3S
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.15
• IUPAC Name: N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide
• SMILES: Cc1ccc(-c2nc(CC(=O)NC(C)c3cccc(NC(=O)c4ccccc4)c3)cs2)o1
• InChI: InChI=1S/C25H23N3O3S/c1-16-11-12-22(31-16)25-28-21(15-32-25)14-23(29)26-17(2)19-9-6-10-20(13-19)27-24(30)18-7-4-3-5-8-18/h3-13,15,17H,14H2,1-2H3,(H,26,29)(H,27,30)
• InChIKey: QZFVCIZHTCNKJG-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide?

The IUPAC name of N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide (CID 46456770) is N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide.

What is the SMILES notation for N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide?

The canonical SMILES for N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide is Cc1ccc(-c2nc(CC(=O)NC(C)c3cccc(NC(=O)c4ccccc4)c3)cs2)o1.

What is the InChIKey of N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide?

The InChIKey is QZFVCIZHTCNKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-16-11-12-22(31-16)25-28-21(15-32-25)14-23(29)26-17(2)19-9-6-10-20(13-19)27-24(30)18-7-4-3-5-8-18/h3-13,15,17H,14H2,1-2H3,(H,26,29)(H,27,30).

What are the key properties of N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide?

N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 445.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46456770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).