3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

C17H16N2O4S — CID 46352398

IUPAC3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-19-12-6-5-11(9-15(12)24-17(19)21)18-16(20)10-4-7-13(22-2)14(8-10)23-3/h4-9H,1-3H3,(H,18,20)
InChIKeyWPIUQOCZMCTMPL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.87
Rot. Bonds4

About 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide

3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (PubChem CID 46352398) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
PubChem CID46352398
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-19-12-6-5-11(9-15(12)24-17(19)21)18-16(20)10-4-7-13(22-2)14(8-10)23-3/h4-9H,1-3H3,(H,18,20)
InChIKeyWPIUQOCZMCTMPL-UHFFFAOYSA-N
XLogP2.87
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100560387
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708
7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 100530050
1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
CID 100536950
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100535827
6-[(3,4-dimethoxyphenyl)methylamino]-3-methyl-1,3-benzothiazol-2-one
CID 22433828
4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100528512
4-chloro-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 100529582
2-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 100530155
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide (CID 46352398) is 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is WPIUQOCZMCTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-19-12-6-5-11(9-15(12)24-17(19)21)18-16(20)10-4-7-13(22-2)14(8-10)23-3/h4-9H,1-3H3,(H,18,20).
What are the key properties of 3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide?
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.87, 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-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 46352398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).