4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide

C18H16F2N2O4S — CID 8882972

IUPAC4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC(F)F)c(OC)c3)sc2c1
InChIInChI=1S/C18H16F2N2O4S/c1-3-25-11-5-6-12-15(9-11)27-18(21-12)22-16(23)10-4-7-13(26-17(19)20)14(8-10)24-2/h4-9,17H,3H2,1-2H3,(H,21,22,23)
InChIKeyBEFUVNAHUHAVJU-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.56
Rot. Bonds7

About 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide

4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide (PubChem CID 8882972) has the molecular formula C18H16F2N2O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
PubChem CID8882972
Molecular FormulaC18H16F2N2O4S
Molecular Weight394.40 g/mol
Exact Mass394.08
IUPAC Name4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC(F)F)c(OC)c3)sc2c1
InChIInChI=1S/C18H16F2N2O4S/c1-3-25-11-5-6-12-15(9-11)27-18(21-12)22-16(23)10-4-7-13(26-17(19)20)14(8-10)24-2/h4-9,17H,3H2,1-2H3,(H,21,22,23)
InChIKeyBEFUVNAHUHAVJU-UHFFFAOYSA-N
XLogP4.56
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 26251702
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
4-(difluoromethylsulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 35996706
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide (CID 8882972) is 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide is CCOc1ccc2nc(NC(=O)c3ccc(OC(F)F)c(OC)c3)sc2c1.
What is the InChIKey of 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The InChIKey is BEFUVNAHUHAVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4S/c1-3-25-11-5-6-12-15(9-11)27-18(21-12)22-16(23)10-4-7-13(26-17(19)20)14(8-10)24-2/h4-9,17H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide?
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide has a molecular weight of 394.40 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 8882972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).