N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide

C17H17N3O4S2 — CID 18110845

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2nc3ccccc3s2)ccc1OC
InChIInChI=1S/C17H17N3O4S2/c1-18-26(22,23)15-9-11(7-8-13(15)24-2)17(21)19-10-16-20-12-5-3-4-6-14(12)25-16/h3-9,18H,10H2,1-2H3,(H,19,21)
InChIKeyWIZLSAAWNNHJSI-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.14
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 18110845) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID18110845
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2nc3ccccc3s2)ccc1OC
InChIInChI=1S/C17H17N3O4S2/c1-18-26(22,23)15-9-11(7-8-13(15)24-2)17(21)19-10-16-20-12-5-3-4-6-14(12)25-16/h3-9,18H,10H2,1-2H3,(H,19,21)
InChIKeyWIZLSAAWNNHJSI-UHFFFAOYSA-N
XLogP2.14
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55489899
N-(1,3-benzothiazol-2-ylmethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 55380920
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
CID 38284178
1-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38167322
N-(1,3-benzothiazol-2-ylmethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 38283893
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-3-(methylsulfamoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964388
4-methoxy-3-(methylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18105723
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 34464156

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide (CID 18110845) is N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCc2nc3ccccc3s2)ccc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is WIZLSAAWNNHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-18-26(22,23)15-9-11(7-8-13(15)24-2)17(21)19-10-16-20-12-5-3-4-6-14(12)25-16/h3-9,18H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 18110845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).