N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide

C26H20N2O2S — CID 4191270

IUPACN-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cccc(Oc3ccccc3)c2)sc2c3ccccc3ccc21
InChIInChI=1S/C26H20N2O2S/c1-2-28-23-16-15-18-9-6-7-14-22(18)24(23)31-26(28)27-25(29)19-10-8-13-21(17-19)30-20-11-4-3-5-12-20/h3-17H,2H2,1H3/b27-26-
InChIKeyDNTJIHPHENRGSI-RQZHXJHFSA-N
MW424.53 g/mol
LogP6.41
Rot. Bonds4

About N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide

N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide (PubChem CID 4191270) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide
PubChem CID4191270
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC NameN-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide
SMILESCCn1/c(=N/C(=O)c2cccc(Oc3ccccc3)c2)sc2c3ccccc3ccc21
InChIInChI=1S/C26H20N2O2S/c1-2-28-23-16-15-18-9-6-7-14-22(18)24(23)31-26(28)27-25(29)19-10-8-13-21(17-19)30-20-11-4-3-5-12-20/h3-17H,2H2,1H3/b27-26-
InChIKeyDNTJIHPHENRGSI-RQZHXJHFSA-N
XLogP6.41
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-ethyl-2-(3-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate
CID 4112256
3-pentoxy-N-(3-prop-2-ynylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 43946306
4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4191264
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
methyl 2-[2-[4-[4-[[3-(2-methoxy-2-oxoethyl)benzo[g][1,3]benzothiazol-2-ylidene]carbamoyl]phenoxy]benzoyl]iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 43942350
methyl 2-[2-(3-methylbenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 41204527
ethyl 2-[2-(3-chlorobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 41203653
N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 43938665
ethyl 2-[2-(2-phenoxybenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 43941889
3-ethylsulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 40697545
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 40885171
methyl 2-[2-(3,4,5-triethoxybenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate
CID 41205061

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide?
The IUPAC name of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide (CID 4191270) is N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide.
What is the SMILES notation for N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide?
The canonical SMILES for N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide is CCn1/c(=N/C(=O)c2cccc(Oc3ccccc3)c2)sc2c3ccccc3ccc21.
What is the InChIKey of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide?
The InChIKey is DNTJIHPHENRGSI-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H20N2O2S/c1-2-28-23-16-15-18-9-6-7-14-22(18)24(23)31-26(28)27-25(29)19-10-8-13-21(17-19)30-20-11-4-3-5-12-20/h3-17H,2H2,1H3/b27-26-.
What are the key properties of N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide?
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide has a molecular weight of 424.53 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenoxybenzamide is sourced from PubChem (CID 4191270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).