N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide

C24H22N2O4S — CID 40888522

IUPACN-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
SMILESCOCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cccc(OC)c21
InChIInChI=1S/C24H22N2O4S/c1-28-16-15-26-22-20(29-2)9-6-10-21(22)31-24(26)25-23(27)17-11-13-19(14-12-17)30-18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3/b25-24-
InChIKeyUSLHBEJBZUCTQZ-IZHYLOQSSA-N
MW434.52 g/mol
LogP4.89
Rot. Bonds7

About N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide

N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide (PubChem CID 40888522) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
PubChem CID40888522
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
SMILESCOCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cccc(OC)c21
InChIInChI=1S/C24H22N2O4S/c1-28-16-15-26-22-20(29-2)9-6-10-21(22)31-24(26)25-23(27)17-11-13-19(14-12-17)30-18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3/b25-24-
InChIKeyUSLHBEJBZUCTQZ-IZHYLOQSSA-N
XLogP4.89
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7152892
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide
CID 40888297
2,6-dimethoxy-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 7153141
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]benzamide
CID 7153214
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938951
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 7153193
4-benzyl-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938807
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 4195493
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7153029
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 41202319
methyl 4-[[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 7153287
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide
CID 41203229

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide?
The IUPAC name of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide (CID 40888522) is N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide?
The canonical SMILES for N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide is COCCn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2cccc(OC)c21.
What is the InChIKey of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide?
The InChIKey is USLHBEJBZUCTQZ-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-28-16-15-26-22-20(29-2)9-6-10-21(22)31-24(26)25-23(27)17-11-13-19(14-12-17)30-18-7-4-3-5-8-18/h3-14H,15-16H2,1-2H3/b25-24-.
What are the key properties of N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide?
N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide has a molecular weight of 434.52 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide is sourced from PubChem (CID 40888522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).