7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

C18H14N2O4S — CID 100530050

IUPAC7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)oc12
InChIInChI=1S/C18H14N2O4S/c1-20-12-7-6-11(9-15(12)25-18(20)22)19-17(21)14-8-10-4-3-5-13(23-2)16(10)24-14/h3-9H,1-2H3,(H,19,21)
InChIKeyKWOVRPWCECAZKQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.61
Rot. Bonds3

About 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 100530050) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
PubChem CID100530050
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)oc12
InChIInChI=1S/C18H14N2O4S/c1-20-12-7-6-11(9-15(12)25-18(20)22)19-17(21)14-8-10-4-3-5-13(23-2)16(10)24-14/h3-9H,1-2H3,(H,19,21)
InChIKeyKWOVRPWCECAZKQ-UHFFFAOYSA-N
XLogP3.61
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398
1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
CID 100536950
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 136510579
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
CID 40889686
N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-7-methoxy-1-benzofuran-2-carboxamide
CID 40889611
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100535827
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (CID 100530050) is 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)oc12.
What is the InChIKey of 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is KWOVRPWCECAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-20-12-7-6-11(9-15(12)25-18(20)22)19-17(21)14-8-10-4-3-5-13(23-2)16(10)24-14/h3-9H,1-2H3,(H,19,21).
What are the key properties of 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 100530050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).