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

C22H18N2O3S — CID 3536818

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1
InChIInChI=1S/C22H18N2O3S/c1-2-26-16-12-13-18-20(14-16)28-22(23-18)24-21(25)17-10-6-7-11-19(17)27-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyXAHSGCDNVFKGGZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.74
Rot. Bonds6

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (PubChem CID 3536818) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
PubChem CID3536818
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1
InChIInChI=1S/C22H18N2O3S/c1-2-26-16-12-13-18-20(14-16)28-22(23-18)24-21(25)17-10-6-7-11-19(17)27-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,23,24,25)
InChIKeyXAHSGCDNVFKGGZ-UHFFFAOYSA-N
XLogP5.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
2-(3-aminopropoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45267313
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4113143
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
2-(4-chlorobenzoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3249523
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 18854016
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide (CID 3536818) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is CCOc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
The InChIKey is XAHSGCDNVFKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-2-26-16-12-13-18-20(14-16)28-22(23-18)24-21(25)17-10-6-7-11-19(17)27-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,23,24,25).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide has a molecular weight of 390.46 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide is sourced from PubChem (CID 3536818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).