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

C33H48N2O2S — CID 173343158

IUPACN-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
SMILESCCCCCCCCCCCCCCOc1cccc(CC(=O)Nc2ccc(CN3CSC=C3C)cc2)c1
InChIInChI=1S/C33H48N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-37-32-17-15-16-30(23-32)24-33(36)34-31-20-18-29(19-21-31)25-35-27-38-26-28(35)2/h15-21,23,26H,3-14,22,24-25,27H2,1-2H3,(H,34,36)
InChIKeyCJAUZBVUTQMIPM-UHFFFAOYSA-N
MW536.83 g/mol
LogP9.32
Rot. Bonds19

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

N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide (PubChem CID 173343158) has the molecular formula C33H48N2O2S and a molecular weight of 536.83 g/mol. Its IUPAC name is N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
PubChem CID173343158
Molecular FormulaC33H48N2O2S
Molecular Weight536.83 g/mol
Exact Mass536.34
IUPAC NameN-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
SMILESCCCCCCCCCCCCCCOc1cccc(CC(=O)Nc2ccc(CN3CSC=C3C)cc2)c1
InChIInChI=1S/C33H48N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-37-32-17-15-16-30(23-32)24-33(36)34-31-20-18-29(19-21-31)25-35-27-38-26-28(35)2/h15-21,23,26H,3-14,22,24-25,27H2,1-2H3,(H,34,36)
InChIKeyCJAUZBVUTQMIPM-UHFFFAOYSA-N
XLogP9.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.83
LogP ≤ 59.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
CID 173343348
2-(4-chloro-3-dodecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57273836
2-(3-methoxy-4-tetradecoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57113749
2-(2-hexadecoxy-4-methoxyphenyl)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342423
N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(2-tetradecoxyphenyl)acetamide
CID 173343128
2-(3-tert-butyl-4-decoxyphenyl)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343512
2-(4-chloro-2-tetradecoxyphenyl)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57122127
2-(4-chloro-2-tetradecoxyphenoxy)-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57047242
1-(2-chloro-4-tetradecoxyphenyl)-3-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]urea;hydrobromide
CID 173343499
3-methoxy-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
CID 57152450
N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide
CID 173343183
2-(4-chloro-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57017045

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide?
The IUPAC name of N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide (CID 173343158) is N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide?
The canonical SMILES for N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide is CCCCCCCCCCCCCCOc1cccc(CC(=O)Nc2ccc(CN3CSC=C3C)cc2)c1.
What is the InChIKey of N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide?
The InChIKey is CJAUZBVUTQMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-37-32-17-15-16-30(23-32)24-33(36)34-31-20-18-29(19-21-31)25-35-27-38-26-28(35)2/h15-21,23,26H,3-14,22,24-25,27H2,1-2H3,(H,34,36).
What are the key properties of N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide?
N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide has a molecular weight of 536.83 g/mol, XLogP of 9.32, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide is sourced from PubChem (CID 173343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).