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

C20H19N3O3S — CID 9158663

IUPACN-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-22-17(12-27-13)11-26-18-9-5-15(6-10-18)20(25)23-16-7-3-14(4-8-16)19(24)21-2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyYEFXCTUFRNMKSZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.64
Rot. Bonds6

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

N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide (PubChem CID 9158663) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
PubChem CID9158663
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-22-17(12-27-13)11-26-18-9-5-15(6-10-18)20(25)23-16-7-3-14(4-8-16)19(24)21-2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyYEFXCTUFRNMKSZ-UHFFFAOYSA-N
XLogP3.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
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-(4-morpholin-4-ylphenyl)benzamide
CID 39967725
N-(2,3-dihydro-1H-inden-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9047146
N-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38403977
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 9040817
N-(1-methylpyrazol-3-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 16622072
N-(3-fluoro-4-pyrazol-1-ylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55820396
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164
N-(5-tert-butyl-2-hydroxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 29265468
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide (CID 9158663) is N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1.
What is the InChIKey of N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide?
The InChIKey is YEFXCTUFRNMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-22-17(12-27-13)11-26-18-9-5-15(6-10-18)20(25)23-16-7-3-14(4-8-16)19(24)21-2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide?
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide is sourced from PubChem (CID 9158663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).