N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide

C20H22N2O4S — CID 4233786

IUPACN-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3s2)cc(OCC)c1OCC
InChIInChI=1S/C20H22N2O4S/c1-4-24-15-11-13(12-16(25-5-2)18(15)26-6-3)19(23)22-20-21-14-9-7-8-10-17(14)27-20/h7-12H,4-6H2,1-3H3,(H,21,22,23)
InChIKeyQVGSFVSRQMJUQL-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.74
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide

N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide (PubChem CID 4233786) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
PubChem CID4233786
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3s2)cc(OCC)c1OCC
InChIInChI=1S/C20H22N2O4S/c1-4-24-15-11-13(12-16(25-5-2)18(15)26-6-3)19(23)22-20-21-14-9-7-8-10-17(14)27-20/h7-12H,4-6H2,1-3H3,(H,21,22,23)
InChIKeyQVGSFVSRQMJUQL-UHFFFAOYSA-N
XLogP4.74
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-triethoxybenzamide
CID 1339348
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 53268856
3,4,5-triethoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235435
N-(1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
CID 9391634
3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
3,4,5-triethoxy-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
CID 4062314
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
N-(1,3-benzothiazol-2-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30859011
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide (CID 4233786) is N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2nc3ccccc3s2)cc(OCC)c1OCC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide?
The InChIKey is QVGSFVSRQMJUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-24-15-11-13(12-16(25-5-2)18(15)26-6-3)19(23)22-20-21-14-9-7-8-10-17(14)27-20/h7-12H,4-6H2,1-3H3,(H,21,22,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide?
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide has a molecular weight of 386.47 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 4233786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).