N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C20H20N2O2S — CID 9046820

IUPACN-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-3-5-16(6-4-14)11-21-20(23)17-7-9-19(10-8-17)24-12-18-13-25-15(2)22-18/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyLIHCLCRUUSATRW-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.27
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 9046820) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID9046820
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-3-5-16(6-4-14)11-21-20(23)17-7-9-19(10-8-17)24-12-18-13-25-15(2)22-18/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyLIHCLCRUUSATRW-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-[[3-(methylsulfamoyl)phenyl]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38970613
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17479318
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46438111
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
CID 118975002
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9470615
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55812442

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 9046820) is N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1ccc(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is LIHCLCRUUSATRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-3-5-16(6-4-14)11-21-20(23)17-7-9-19(10-8-17)24-12-18-13-25-15(2)22-18/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 352.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 9046820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).