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

C35H50N2O3S — CID 57247666

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

2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 57247666) has the molecular formula C35H50N2O3S and a molecular weight of 578.86 g/mol. Its IUPAC name is 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
• PubChem CID: 57247666
• Molecular Formula: C35H50N2O3S
• Molecular Weight: 578.86 g/mol
• Exact Mass: 578.35
• IUPAC Name: 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
• SMILES: CCCCCCCCCCCCCCOc1c(CC(=O)Nc2ccccc2CN2CSC=C2C)cccc1C(C)=O
• InChI: InChI=1S/C35H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-40-35-30(20-18-21-32(35)29(3)38)24-34(39)36-33-22-16-15-19-31(33)25-37-27-41-26-28(37)2/h15-16,18-22,26H,4-14,17,23-25,27H2,1-3H3,(H,36,39)
• InChIKey: NLVFVIGXEWUDSP-UHFFFAOYSA-N
• XLogP: 9.52
• 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	578.86
LogP ≤ 5	9.52
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-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide (CID 57247666) is 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide.

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

The canonical SMILES for 2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide is CCCCCCCCCCCCCCOc1c(CC(=O)Nc2ccccc2CN2CSC=C2C)cccc1C(C)=O.

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

The InChIKey is NLVFVIGXEWUDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-40-35-30(20-18-21-32(35)29(3)38)24-34(39)36-33-22-16-15-19-31(33)25-37-27-41-26-28(37)2/h15-16,18-22,26H,4-14,17,23-25,27H2,1-3H3,(H,36,39).

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

2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 578.86 g/mol, XLogP of 9.52, 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-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 57247666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).