2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide

C34H51BrN2O3S — CID 173342880

About 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide

2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide (PubChem CID 173342880) has the molecular formula C34H51BrN2O3S and a molecular weight of 647.76 g/mol. Its IUPAC name is 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide.

Molecular Properties

• Compound Name: 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
• PubChem CID: 173342880
• Molecular Formula: C34H51BrN2O3S
• Molecular Weight: 647.76 g/mol
• Exact Mass: 646.28
• IUPAC Name: 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
• SMILES: Br.CCCCCCCCCCCCCCOc1c(CC(=O)Nc2ccc(CN3C=C(C)SC3)cc2)cccc1OC
• InChI: InChI=1S/C34H50N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-39-34-30(17-16-18-32(34)38-3)24-33(37)35-31-21-19-29(20-22-31)26-36-25-28(2)40-27-36;/h16-22,25H,4-15,23-24,26-27H2,1-3H3,(H,35,37);1H
• InChIKey: WXFRATXYPWXECG-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-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

The IUPAC name of 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide (CID 173342880) is 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide.

What is the SMILES notation for 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

The canonical SMILES for 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1c(CC(=O)Nc2ccc(CN3C=C(C)SC3)cc2)cccc1OC.

What is the InChIKey of 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

The InChIKey is WXFRATXYPWXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-39-34-30(17-16-18-32(34)38-3)24-33(37)35-31-21-19-29(20-22-31)26-36-25-28(2)40-27-36;/h16-22,25H,4-15,23-24,26-27H2,1-3H3,(H,35,37);1H.

What are the key properties of 2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide?

2-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-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-(3-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide is sourced from PubChem (CID 173342880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).