N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide

C24H22N2O3S — CID 4195493

IUPACN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
SMILESCCOc1cccc2s/c(=N\C(=O)c3ccc(Oc4ccccc4)cc3)n(CC)c12
InChIInChI=1S/C24H22N2O3S/c1-3-26-22-20(28-4-2)11-8-12-21(22)30-24(26)25-23(27)17-13-15-19(16-14-17)29-18-9-6-5-7-10-18/h5-16H,3-4H2,1-2H3/b25-24-
InChIKeyFGYDFRNHABFNQH-IZHYLOQSSA-N
MW418.52 g/mol
LogP5.65
Rot. Bonds6

About N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide

N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide (PubChem CID 4195493) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
PubChem CID4195493
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
SMILESCCOc1cccc2s/c(=N\C(=O)c3ccc(Oc4ccccc4)cc3)n(CC)c12
InChIInChI=1S/C24H22N2O3S/c1-3-26-22-20(28-4-2)11-8-12-21(22)30-24(26)25-23(27)17-13-15-19(16-14-17)29-18-9-6-5-7-10-18/h5-16H,3-4H2,1-2H3/b25-24-
InChIKeyFGYDFRNHABFNQH-IZHYLOQSSA-N
XLogP5.65
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide
CID 40888522
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 4051224
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 5077933
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4102084
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4080829
methyl 4-[(4-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 41001377
4-benzyl-N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 43938807
methyl 2-[2-(4-butoxybenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate
CID 41204668
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43946505
4-benzyl-N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43946342
4-[cyclopropyl(methyl)sulfamoyl]-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41364032
4-[bis(2-methylpropyl)sulfamoyl]-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2158782

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The IUPAC name of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide (CID 4195493) is N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide.
What is the SMILES notation for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The canonical SMILES for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide is CCOc1cccc2s/c(=N\C(=O)c3ccc(Oc4ccccc4)cc3)n(CC)c12.
What is the InChIKey of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
The InChIKey is FGYDFRNHABFNQH-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-3-26-22-20(28-4-2)11-8-12-21(22)30-24(26)25-23(27)17-13-15-19(16-14-17)29-18-9-6-5-7-10-18/h5-16H,3-4H2,1-2H3/b25-24-.
What are the key properties of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide?
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide has a molecular weight of 418.52 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide is sourced from PubChem (CID 4195493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).