N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide

C18H18N2O5S2 — CID 7295315

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O5S2/c1-4-27(22,23)12-7-5-11(6-8-12)17(21)20-18-19-13-9-14(24-2)15(25-3)10-16(13)26-18/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyFIUXFGMEROERTG-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.36
Rot. Bonds6

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide (PubChem CID 7295315) has the molecular formula C18H18N2O5S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
PubChem CID7295315
Molecular FormulaC18H18N2O5S2
Molecular Weight406.49 g/mol
Exact Mass406.07
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O5S2/c1-4-27(22,23)12-7-5-11(6-8-12)17(21)20-18-19-13-9-14(24-2)15(25-3)10-16(13)26-18/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyFIUXFGMEROERTG-UHFFFAOYSA-N
XLogP3.36
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993377
4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41007497
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 122655414
3-cyclopropyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)propanamide
CID 122655237
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenoxy)-2-(4-ethylsulfonylphenyl)acetamide
CID 122655231
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 24600028
2-(cyclopentylamino)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 122655503
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 122666656
3-ethylsulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7578979
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579392

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide (CID 7295315) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide?
The InChIKey is FIUXFGMEROERTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S2/c1-4-27(22,23)12-7-5-11(6-8-12)17(21)20-18-19-13-9-14(24-2)15(25-3)10-16(13)26-18/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide has a molecular weight of 406.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide is sourced from PubChem (CID 7295315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).