N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

C21H24N2O3S — CID 28591837

IUPACN-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NC1CCCCCC1
InChIInChI=1S/C21H24N2O3S/c24-21(22-16-9-3-1-2-4-10-16)15-23-19-13-7-5-11-17(19)18-12-6-8-14-20(18)27(23,25)26/h5-8,11-14,16H,1-4,9-10,15H2,(H,22,24)
InChIKeyKSPXJUFPPVXWQK-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.70
Rot. Bonds3

About N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (PubChem CID 28591837) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
PubChem CID28591837
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NC1CCCCCC1
InChIInChI=1S/C21H24N2O3S/c24-21(22-16-9-3-1-2-4-10-16)15-23-19-13-7-5-11-17(19)18-12-6-8-14-20(18)27(23,25)26/h5-8,11-14,16H,1-4,9-10,15H2,(H,22,24)
InChIKeyKSPXJUFPPVXWQK-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyclohexylacetamide
CID 17200925
N-cycloheptyl-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200810
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
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-(cycloheptylamino)-2-oxoethyl] 2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetate
CID 33286311
N-cyclopentyl-2-(1,1-dioxo-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 22589072
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 132674406
N-butyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591877
N-(2-bicyclo[2.2.1]heptanyl)-2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 43882903
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide;hydrochloride
CID 119457098

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (CID 28591837) is N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The InChIKey is KSPXJUFPPVXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-21(22-16-9-3-1-2-4-10-16)15-23-19-13-7-5-11-17(19)18-12-6-8-14-20(18)27(23,25)26/h5-8,11-14,16H,1-4,9-10,15H2,(H,22,24).
What are the key properties of N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide has a molecular weight of 384.50 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is sourced from PubChem (CID 28591837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).