2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide

C20H21BrN2O3S — CID 17200925

IUPAC2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide
SMILESO=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)NC1CCCCC1
InChIInChI=1S/C20H21BrN2O3S/c21-14-10-11-18-17(12-14)16-8-4-5-9-19(16)27(25,26)23(18)13-20(24)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,22,24)
InChIKeyOICNZJWWOCPGHO-UHFFFAOYSA-N
MW449.37 g/mol
LogP4.07
Rot. Bonds3

About 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide

2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide (PubChem CID 17200925) has the molecular formula C20H21BrN2O3S and a molecular weight of 449.37 g/mol. Its IUPAC name is 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide
PubChem CID17200925
Molecular FormulaC20H21BrN2O3S
Molecular Weight449.37 g/mol
Exact Mass448.05
IUPAC Name2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide
SMILESO=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)NC1CCCCC1
InChIInChI=1S/C20H21BrN2O3S/c21-14-10-11-18-17(12-14)16-8-4-5-9-19(16)27(25,26)23(18)13-20(24)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,22,24)
InChIKeyOICNZJWWOCPGHO-UHFFFAOYSA-N
XLogP4.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591837
N-cycloheptyl-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200810
N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591725
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-tert-butylacetamide
CID 17200917
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17200947
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(1-phenylethyl)acetamide
CID 17200931
N-cycloheptyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
CID 2446124
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(2-phenylpropyl)acetamide
CID 133238893
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 17200972
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
CID 138031807
2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
CID 29299798

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide (CID 17200925) is 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide is O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)NC1CCCCC1.
What is the InChIKey of 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide?
The InChIKey is OICNZJWWOCPGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O3S/c21-14-10-11-18-17(12-14)16-8-4-5-9-19(16)27(25,26)23(18)13-20(24)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2,(H,22,24).
What are the key properties of 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide?
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide has a molecular weight of 449.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 17200925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).