N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

C31H34N2O2S — CID 19178629

About N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (PubChem CID 19178629) has the molecular formula C31H34N2O2S and a molecular weight of 498.69 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
• PubChem CID: 19178629
• Molecular Formula: C31H34N2O2S
• Molecular Weight: 498.69 g/mol
• Exact Mass: 498.23
• IUPAC Name: N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
• SMILES: CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
• InChI: InChI=1S/C31H34N2O2S/c1-30(2,3)21-31(4,5)25-15-17-26(18-16-25)35-19-28(34)33-29-32-27(20-36-29)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-18,20H,19,21H2,1-5H3,(H,32,33,34)
• InChIKey: BUYSIMBINCADRC-UHFFFAOYSA-N
• XLogP: 8.21
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.69
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

The IUPAC name of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide (CID 19178629) is N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide.

What is the SMILES notation for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

The canonical SMILES for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.

What is the InChIKey of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

The InChIKey is BUYSIMBINCADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2S/c1-30(2,3)21-31(4,5)25-15-17-26(18-16-25)35-19-28(34)33-29-32-27(20-36-29)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-18,20H,19,21H2,1-5H3,(H,32,33,34).

What are the key properties of N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide?

N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide has a molecular weight of 498.69 g/mol, XLogP of 8.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19178629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).