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

C32H46N2O2S — CID 173342376

IUPACN-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cccc(CN2CSC=C2C)c1
InChIInChI=1S/C32H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-36-31-21-15-14-20-30(31)32(35)33-29-19-17-18-28(23-29)24-34-26-37-25-27(34)2/h14-15,17-21,23,25H,3-13,16,22,24,26H2,1-2H3,(H,33,35)
InChIKeyMQOUPVZOBGGIJN-UHFFFAOYSA-N
MW522.80 g/mol
LogP9.39
Rot. Bonds18

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

N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide (PubChem CID 173342376) has the molecular formula C32H46N2O2S and a molecular weight of 522.80 g/mol. Its IUPAC name is N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide.

Molecular Properties

Compound NameN-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
PubChem CID173342376
Molecular FormulaC32H46N2O2S
Molecular Weight522.80 g/mol
Exact Mass522.33
IUPAC NameN-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cccc(CN2CSC=C2C)c1
InChIInChI=1S/C32H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-36-31-21-15-14-20-30(31)32(35)33-29-19-17-18-28(23-29)24-34-26-37-25-27(34)2/h14-15,17-21,23,25H,3-13,16,22,24,26H2,1-2H3,(H,33,35)
InChIKeyMQOUPVZOBGGIJN-UHFFFAOYSA-N
XLogP9.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.80
LogP ≤ 59.39
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-(2-tetradecoxyphenyl)acetamide
CID 173343128
3-fluoro-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
CID 57034803
2-(3-acetyl-2-tetradecoxyphenoxy)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343112
N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 173343728
N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
CID 173343348
2-(4-chloro-2-tetradecoxyphenyl)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57122127
2-(3-tert-butyl-4-decoxyphenyl)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343512
2-(3-fluoro-2-tetradecoxyphenoxy)-N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342644
N-(3-tert-butyl-4-tetradecoxyphenyl)-2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]benzamide;hydrobromide
CID 173342684
1-(2-chloro-4-tetradecoxyphenyl)-3-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]urea;hydrobromide
CID 173343499
N-(3-methoxy-2-tetradecoxyphenyl)-3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]benzamide
CID 57190330
3-methoxy-N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
CID 57152450

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
The IUPAC name of N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide (CID 173342376) is N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide.
What is the SMILES notation for N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
The canonical SMILES for N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide is CCCCCCCCCCCCCCOc1ccccc1C(=O)Nc1cccc(CN2CSC=C2C)c1.
What is the InChIKey of N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
The InChIKey is MQOUPVZOBGGIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-36-31-21-15-14-20-30(31)32(35)33-29-19-17-18-28(23-29)24-34-26-37-25-27(34)2/h14-15,17-21,23,25H,3-13,16,22,24,26H2,1-2H3,(H,33,35).
What are the key properties of N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide?
N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide has a molecular weight of 522.80 g/mol, XLogP of 9.39, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide is sourced from PubChem (CID 173342376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).