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

C17H16N2O3S — CID 28591725

IUPACN-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NC1CC1
InChIInChI=1S/C17H16N2O3S/c20-17(18-12-9-10-12)11-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)23(19,21)22/h1-8,12H,9-11H2,(H,18,20)
InChIKeyLQNLRBLKCCLNGQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.14
Rot. Bonds3

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

N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (PubChem CID 28591725) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
PubChem CID28591725
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NC1CC1
InChIInChI=1S/C17H16N2O3S/c20-17(18-12-9-10-12)11-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)23(19,21)22/h1-8,12H,9-11H2,(H,18,20)
InChIKeyLQNLRBLKCCLNGQ-UHFFFAOYSA-N
XLogP2.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.14
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
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-(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
cis-(1S,3R)-3-[[2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675530
N-(2-bicyclo[2.2.1]heptanyl)-2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 43882903
N-cyclohexyl-2-(5,5-dioxophenothiazin-10-yl)acetamide
CID 46339257
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
2-(3-cyclobutyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)-N-cyclopentylacetamide
CID 138031807
N-(cyclopropylcarbamoyl)-2-[3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]acetamide
CID 55602728

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (CID 28591725) is N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The InChIKey is LQNLRBLKCCLNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-17(18-12-9-10-12)11-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)23(19,21)22/h1-8,12H,9-11H2,(H,18,20).
What are the key properties of N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is sourced from PubChem (CID 28591725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).