2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide

C34H49BrN2O3S — CID 173342922

About 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide

2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide (PubChem CID 173342922) has the molecular formula C34H49BrN2O3S and a molecular weight of 645.75 g/mol. Its IUPAC name is 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide.

Molecular Properties

• Compound Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
• PubChem CID: 173342922
• Molecular Formula: C34H49BrN2O3S
• Molecular Weight: 645.75 g/mol
• Exact Mass: 644.26
• IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCCCOc1c(CC(=O)Nc2cccc(CN3C=CSC3)c2)cccc1C(C)=O
• InChI: InChI=1S/C34H48N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-39-34-30(18-16-20-32(34)28(2)37)25-33(38)35-31-19-15-17-29(24-31)26-36-21-23-40-27-36;/h15-21,23-24H,3-14,22,25-27H2,1-2H3,(H,35,38);1H
• InChIKey: IJAXOJLFCOAMOH-UHFFFAOYSA-N
• XLogP: 9.71
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.75
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

The IUPAC name of 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide (CID 173342922) is 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide.

What is the SMILES notation for 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

The canonical SMILES for 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1c(CC(=O)Nc2cccc(CN3C=CSC3)c2)cccc1C(C)=O.

What is the InChIKey of 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

The InChIKey is IJAXOJLFCOAMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O3S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-39-34-30(18-16-20-32(34)28(2)37)25-33(38)35-31-19-15-17-29(24-31)26-36-21-23-40-27-36;/h15-21,23-24H,3-14,22,25-27H2,1-2H3,(H,35,38);1H.

What are the key properties of 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide?

2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide has a molecular weight of 645.75 g/mol, XLogP of 9.71, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-acetyl-2-tetradecoxyphenyl)-N-[3-(2H-1,3-thiazol-3-ylmethyl)phenyl]acetamide;hydrobromide is sourced from PubChem (CID 173342922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).