N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide

C22H18N2O4S — CID 2347857

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
SMILESCOc1ccc2nc(NC(=O)COc3cccc(Oc4ccccc4)c3)sc2c1
InChIInChI=1S/C22H18N2O4S/c1-26-16-10-11-19-20(13-16)29-22(23-19)24-21(25)14-27-17-8-5-9-18(12-17)28-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyFSKIBNPVMHQXTL-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.11
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide (PubChem CID 2347857) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
PubChem CID2347857
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
SMILESCOc1ccc2nc(NC(=O)COc3cccc(Oc4ccccc4)c3)sc2c1
InChIInChI=1S/C22H18N2O4S/c1-26-16-10-11-19-20(13-16)29-22(23-19)24-21(25)14-27-17-8-5-9-18(12-17)28-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24,25)
InChIKeyFSKIBNPVMHQXTL-UHFFFAOYSA-N
XLogP5.11
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide (CID 2347857) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide is COc1ccc2nc(NC(=O)COc3cccc(Oc4ccccc4)c3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide?
The InChIKey is FSKIBNPVMHQXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-26-16-10-11-19-20(13-16)29-22(23-19)24-21(25)14-27-17-8-5-9-18(12-17)28-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24,25).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide has a molecular weight of 406.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide is sourced from PubChem (CID 2347857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).