4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

C23H25N3O3S — CID 17361539

About 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide

4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 17361539) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
• PubChem CID: 17361539
• Molecular Formula: C23H25N3O3S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
• SMILES: CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1
• InChI: InChI=1S/C23H25N3O3S/c1-4-23(2,3)17-7-11-19(12-8-17)29-15-20(27)25-18-9-5-16(6-10-18)21(28)26-22-24-13-14-30-22/h5-14H,4,15H2,1-3H3,(H,25,27)(H,24,26,28)
• InChIKey: AUANHMQUZNZKJX-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 17361539) is 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

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

The canonical SMILES for 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1.

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

The InChIKey is AUANHMQUZNZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-4-23(2,3)17-7-11-19(12-8-17)29-15-20(27)25-18-9-5-16(6-10-18)21(28)26-22-24-13-14-30-22/h5-14H,4,15H2,1-3H3,(H,25,27)(H,24,26,28).

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

4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 423.54 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 17361539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).