N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide

C23H20N2O2S — CID 7915256

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-6-5-7-17(12-15)14-27-21-9-4-3-8-19(21)23(26)25-18-10-11-20-22(13-18)28-16(2)24-20/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyNEBVOLCHLVTKTM-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.74
Rot. Bonds5

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide (PubChem CID 7915256) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide
PubChem CID7915256
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide
SMILESCc1cccc(COc2ccccc2C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C23H20N2O2S/c1-15-6-5-7-17(12-15)14-27-21-9-4-3-8-19(21)23(26)25-18-10-11-20-22(13-18)28-16(2)24-20/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyNEBVOLCHLVTKTM-UHFFFAOYSA-N
XLogP5.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
2-[(3-methylphenyl)methoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 34828421
N'-(2-methyl-1,3-benzothiazol-6-yl)-N-[(3-methylphenyl)methyl]oxamide
CID 71894677
N-(2-hydroxyphenyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 25494578
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954337
N-benzhydryl-2-[(3-methylphenyl)methoxy]benzamide
CID 7930966
2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 17122726
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 55350812
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 43000565
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide (CID 7915256) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide is Cc1cccc(COc2ccccc2C(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide?
The InChIKey is NEBVOLCHLVTKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-6-5-7-17(12-15)14-27-21-9-4-3-8-19(21)23(26)25-18-10-11-20-22(13-18)28-16(2)24-20/h3-13H,14H2,1-2H3,(H,25,26).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide has a molecular weight of 388.49 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 7915256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).