N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide

C24H28N2O2S — CID 108760512

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCc2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-3-4-8-15-28-22-13-11-20(12-14-22)24(27)25-17-21-18-29-23(26-21)16-19-9-6-5-7-10-19/h5-7,9-14,18H,2-4,8,15-17H2,1H3,(H,25,27)
InChIKeyHOWQCKURMIKCDN-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.62
Rot. Bonds11

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide (PubChem CID 108760512) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
PubChem CID108760512
Molecular FormulaC24H28N2O2S
Molecular Weight408.57 g/mol
Exact Mass408.19
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NCc2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H28N2O2S/c1-2-3-4-8-15-28-22-13-11-20(12-14-22)24(27)25-17-21-18-29-23(26-21)16-19-9-6-5-7-10-19/h5-7,9-14,18H,2-4,8,15-17H2,1H3,(H,25,27)
InChIKeyHOWQCKURMIKCDN-UHFFFAOYSA-N
XLogP5.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.62
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-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-methylbenzamide
CID 108737581
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxyphenyl)-2-phenylprop-2-enamide
CID 108760549
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
N-(benzylcarbamothioyl)-4-heptoxybenzamide
CID 4950896
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide (CID 108760512) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NCc2csc(Cc3ccccc3)n2)cc1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide?
The InChIKey is HOWQCKURMIKCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-2-3-4-8-15-28-22-13-11-20(12-14-22)24(27)25-17-21-18-29-23(26-21)16-19-9-6-5-7-10-19/h5-7,9-14,18H,2-4,8,15-17H2,1H3,(H,25,27).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide has a molecular weight of 408.57 g/mol, XLogP of 5.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide is sourced from PubChem (CID 108760512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).