2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

C23H21FN2O4S — CID 28564800

IUPAC2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C23H21FN2O4S/c1-25(14-16-7-3-5-9-21(16)30-2)23(27)15-26-20-12-11-17(24)13-19(20)18-8-4-6-10-22(18)31(26,28)29/h3-13H,14-15H2,1-2H3
InChIKeyAWYNGYVNACYIHC-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.67
Rot. Bonds5

About 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 28564800) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID28564800
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C23H21FN2O4S/c1-25(14-16-7-3-5-9-21(16)30-2)23(27)15-26-20-12-11-17(24)13-19(20)18-8-4-6-10-22(18)31(26,28)29/h3-13H,14-15H2,1-2H3
InChIKeyAWYNGYVNACYIHC-UHFFFAOYSA-N
XLogP3.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30396258
2-[(5-fluoro-2-methoxyphenyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 8708928
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94870765
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide
CID 133239611
2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43907543
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46770513

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 28564800) is 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is AWYNGYVNACYIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-25(14-16-7-3-5-9-21(16)30-2)23(27)15-26-20-12-11-17(24)13-19(20)18-8-4-6-10-22(18)31(26,28)29/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 440.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluoro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 28564800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).