N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide

C22H18N2O4S — CID 7543008

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
SMILESCOc1cc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2cc1OC
InChIInChI=1S/C22H18N2O4S/c1-26-18-12-17-20(13-19(18)27-2)29-22(23-17)24-21(25)14-7-6-10-16(11-14)28-15-8-4-3-5-9-15/h3-13H,1-2H3,(H,23,24,25)
InChIKeyRYELJUZRZXFDMP-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.36
Rot. Bonds6

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide (PubChem CID 7543008) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
PubChem CID7543008
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
SMILESCOc1cc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2cc1OC
InChIInChI=1S/C22H18N2O4S/c1-26-18-12-17-20(13-19(18)27-2)29-22(23-17)24-21(25)14-7-6-10-16(11-14)28-15-8-4-3-5-9-15/h3-13H,1-2H3,(H,23,24,25)
InChIKeyRYELJUZRZXFDMP-UHFFFAOYSA-N
XLogP5.36
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 39380341
3-cyano-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948379
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 141404448
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 24600028
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
3-(dimethylsulfamoyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 4800277
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
3-methyl-4-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 7948430

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide (CID 7543008) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide is COc1cc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
The InChIKey is RYELJUZRZXFDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-26-18-12-17-20(13-19(18)27-2)29-22(23-17)24-21(25)14-7-6-10-16(11-14)28-15-8-4-3-5-9-15/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide has a molecular weight of 406.46 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide is sourced from PubChem (CID 7543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).