3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide

C16H15N3O3S — CID 843010

IUPAC3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1OC
InChIInChI=1S/C16H15N3O3S/c1-9-4-6-11-15(19-23-18-11)14(9)17-16(20)10-5-7-12(21-2)13(8-10)22-3/h4-8H,1-3H3,(H,17,20)
InChIKeyCZTVHZXSHUBZQF-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.27
Rot. Bonds4

About 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide

3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (PubChem CID 843010) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
PubChem CID843010
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1OC
InChIInChI=1S/C16H15N3O3S/c1-9-4-6-11-15(19-23-18-11)14(9)17-16(20)10-5-7-12(21-2)13(8-10)22-3/h4-8H,1-3H3,(H,17,20)
InChIKeyCZTVHZXSHUBZQF-UHFFFAOYSA-N
XLogP3.27
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzotriazol-1-yl-(3,4-dimethoxyphenyl)methanone
CID 743706
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 714299
N-(2,1,3-benzothiadiazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 743082
N-2,1,3-benzothiadiazol-5-yl-1,3-benzodioxole-5-carboxamide
CID 773424
3,4,5-triethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide
CID 1204227
4-methoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-nitrobenzamide
CID 1227072
N-(2-phenyl-5-benzotriazolyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
CID 1364199
N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 2208079
N-2,1,3-benzothiadiazol-4-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2890586
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 2206620
3,4,5-triethoxy-N-[2-(4-ethoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]benzamide
CID 3345478
N-[2-(4-ethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 2212102

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide (CID 843010) is 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is COc1ccc(C(=O)Nc2c(C)ccc3nsnc23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
The InChIKey is CZTVHZXSHUBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-9-4-6-11-15(19-23-18-11)14(9)17-16(20)10-5-7-12(21-2)13(8-10)22-3/h4-8H,1-3H3,(H,17,20).
What are the key properties of 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide?
3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide has a molecular weight of 329.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)benzamide is sourced from PubChem (CID 843010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).