N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C20H18F2N2O3S — CID 167628099

IUPACN-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2c(F)c1F
InChIInChI=1S/C20H18F2N2O3S/c1-10-7-13-17(16(22)15(10)21)24-19(28-13)23-14(25)9-26-12-6-4-5-11-8-20(2,3)27-18(11)12/h4-7H,8-9H2,1-3H3,(H,23,24,25)
InChIKeyWATJKIFZULDAFG-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.61
Rot. Bonds4

About N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 167628099) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID167628099
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2c(F)c1F
InChIInChI=1S/C20H18F2N2O3S/c1-10-7-13-17(16(22)15(10)21)24-19(28-13)23-14(25)9-26-12-6-4-5-11-8-20(2,3)27-18(11)12/h4-7H,8-9H2,1-3H3,(H,23,24,25)
InChIKeyWATJKIFZULDAFG-UHFFFAOYSA-N
XLogP4.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 167628099) is N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is Cc1cc2sc(NC(=O)COc3cccc4c3OC(C)(C)C4)nc2c(F)c1F.
What is the InChIKey of N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is WATJKIFZULDAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c1-10-7-13-17(16(22)15(10)21)24-19(28-13)23-14(25)9-26-12-6-4-5-11-8-20(2,3)27-18(11)12/h4-7H,8-9H2,1-3H3,(H,23,24,25).
What are the key properties of N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 404.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-difluoro-6-methyl-1,3-benzothiazol-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 167628099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).