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

C32H46N2O2S — CID 173343183

IUPACN-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1cccc(C(=O)Nc2ccccc2CN2CSC=C2C)c1
InChIInChI=1S/C32H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-36-30-20-17-19-28(23-30)32(35)33-31-21-15-14-18-29(31)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)
InChIKeyBWAPKCZWKIUJDI-UHFFFAOYSA-N
MW522.80 g/mol
LogP9.39
Rot. Bonds18

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

N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide (PubChem CID 173343183) has the molecular formula C32H46N2O2S and a molecular weight of 522.80 g/mol. Its IUPAC name is N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide
PubChem CID173343183
Molecular FormulaC32H46N2O2S
Molecular Weight522.80 g/mol
Exact Mass522.33
IUPAC NameN-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide
SMILESCCCCCCCCCCCCCCOc1cccc(C(=O)Nc2ccccc2CN2CSC=C2C)c1
InChIInChI=1S/C32H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-36-30-20-17-19-28(23-30)32(35)33-31-21-15-14-18-29(31)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)
InChIKeyBWAPKCZWKIUJDI-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

3-tert-butyl-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide
CID 57324758
3-acetyl-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 57045555
N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 173343728
4-methoxy-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 57238770
N-(3-methoxy-2-tetradecoxyphenyl)-3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]benzamide
CID 57190330
2-(3-acetyl-2-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57247666
2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57291304
2-(4-chloro-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57017045
2-(3-chloro-4-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide
CID 57081441
2-(4-methoxy-3-tetradecoxyphenyl)-N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343630
N-[4-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
CID 173343158
N-[3-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-(3-tetradecoxyphenyl)acetamide
CID 173343348

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide?
The IUPAC name of N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide (CID 173343183) is N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide.
What is the SMILES notation for N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide?
The canonical SMILES for N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide is CCCCCCCCCCCCCCOc1cccc(C(=O)Nc2ccccc2CN2CSC=C2C)c1.
What is the InChIKey of N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide?
The InChIKey is BWAPKCZWKIUJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-22-36-30-20-17-19-28(23-30)32(35)33-31-21-15-14-18-29(31)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-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide?
N-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-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-[2-[(4-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-tetradecoxybenzamide is sourced from PubChem (CID 173343183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).