N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide

C23H19N3O4S — CID 46291080

IUPACN-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(OC)c2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C23H19N3O4S/c1-29-17-11-7-6-10-16(17)22(28)24-15-12-18(30-2)20-19(13-15)31-23(25-20)26-21(27)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyASSHBSICQXUTQH-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.82
Rot. Bonds6

About N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide

N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide (PubChem CID 46291080) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
PubChem CID46291080
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(OC)c2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C23H19N3O4S/c1-29-17-11-7-6-10-16(17)22(28)24-15-12-18(30-2)20-19(13-15)31-23(25-20)26-21(27)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyASSHBSICQXUTQH-UHFFFAOYSA-N
XLogP4.82
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
N-[4-methoxy-6-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 46291081
ethyl 2-[(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]benzoate
CID 46326065
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326080
N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46326085
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
3-bromo-N-[4-methoxy-6-(oxidoamino)-1,3-benzothiazol-2-yl]benzamide
CID 143038272
N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325719
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325696

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide?
The IUPAC name of N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide (CID 46291080) is N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide?
The canonical SMILES for N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(OC)c2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide?
The InChIKey is ASSHBSICQXUTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-29-17-11-7-6-10-16(17)22(28)24-15-12-18(30-2)20-19(13-15)31-23(25-20)26-21(27)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide?
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide has a molecular weight of 433.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide is sourced from PubChem (CID 46291080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).