N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

C22H24N2O3S — CID 87006475

IUPACN-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCOCc1ccccc1CNC(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C22H24N2O3S/c1-2-11-26-13-18-8-4-3-7-17(18)12-23-22(25)20-9-5-6-10-21(20)27-14-19-15-28-16-24-19/h3-10,15-16H,2,11-14H2,1H3,(H,23,25)
InChIKeyJHIKUYOMBMOVEW-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.58
Rot. Bonds10

About N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 87006475) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID87006475
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCCOCc1ccccc1CNC(=O)c1ccccc1OCc1cscn1
InChIInChI=1S/C22H24N2O3S/c1-2-11-26-13-18-8-4-3-7-17(18)12-23-22(25)20-9-5-6-10-21(20)27-14-19-15-28-16-24-19/h3-10,15-16H,2,11-14H2,1H3,(H,23,25)
InChIKeyJHIKUYOMBMOVEW-UHFFFAOYSA-N
XLogP4.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide
CID 86893973
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
N-[(4-methylsulfonylphenyl)methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78872865
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739
2-ethoxy-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388441
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
N-[[2-(propoxymethyl)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 87020647
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 87006475) is N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is CCCOCc1ccccc1CNC(=O)c1ccccc1OCc1cscn1.
What is the InChIKey of N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is JHIKUYOMBMOVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-2-11-26-13-18-8-4-3-7-17(18)12-23-22(25)20-9-5-6-10-21(20)27-14-19-15-28-16-24-19/h3-10,15-16H,2,11-14H2,1H3,(H,23,25).
What are the key properties of N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 396.51 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 87006475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).