2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide

C34H51BrN2O3S — CID 173343630

About 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide

2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide (PubChem CID 173343630) has the molecular formula C34H51BrN2O3S and a molecular weight of 647.76 g/mol. Its IUPAC name is 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide.

Molecular Properties

• Compound Name: 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
• PubChem CID: 173343630
• Molecular Formula: C34H51BrN2O3S
• Molecular Weight: 647.76 g/mol
• Exact Mass: 646.28
• IUPAC Name: 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCCCOc1cc(CC(=O)Nc2ccccc2CN2CSC=C2C)ccc1OC
• InChI: InChI=1S/C34H50N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-39-33-23-29(20-21-32(33)38-3)24-34(37)35-31-19-16-15-18-30(31)25-36-27-40-26-28(36)2;/h15-16,18-21,23,26H,4-14,17,22,24-25,27H2,1-3H3,(H,35,37);1H
• InChIKey: JINSPOUFRGVZLL-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 50.80 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	647.76
LogP ≤ 5	9.90
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-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

The IUPAC name of 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide (CID 173343630) is 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide.

What is the SMILES notation for 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

The canonical SMILES for 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1cc(CC(=O)Nc2ccccc2CN2CSC=C2C)ccc1OC.

What is the InChIKey of 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

The InChIKey is JINSPOUFRGVZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-39-33-23-29(20-21-32(33)38-3)24-34(37)35-31-19-16-15-18-30(31)25-36-27-40-26-28(36)2;/h15-16,18-21,23,26H,4-14,17,22,24-25,27H2,1-3H3,(H,35,37);1H.

What are the key properties of 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide has a molecular weight of 647.76 g/mol, XLogP of 9.90, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide is sourced from PubChem (CID 173343630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).