2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide

C16H16ClN3O2S — CID 71936741

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide
SMILESCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1(C#N)CCC1
InChIInChI=1S/C16H16ClN3O2S/c1-20(16(9-18)5-2-6-16)14(21)8-13-15(22)19-11-7-10(17)3-4-12(11)23-13/h3-4,7,13H,2,5-6,8H2,1H3,(H,19,22)
InChIKeyZPSVDRUZNAECEH-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.05
Rot. Bonds3

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide (PubChem CID 71936741) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide
PubChem CID71936741
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide
SMILESCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1(C#N)CCC1
InChIInChI=1S/C16H16ClN3O2S/c1-20(16(9-18)5-2-6-16)14(21)8-13-15(22)19-11-7-10(17)3-4-12(11)23-13/h3-4,7,13H,2,5-6,8H2,1H3,(H,19,22)
InChIKeyZPSVDRUZNAECEH-UHFFFAOYSA-N
XLogP3.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide with MolForge

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 24654793
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 42943286
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 26646962
methyl 2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
CID 40591772
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 42927226
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24565890
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 17455331
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 16613188
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823531
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 55957891
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530301
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55552465

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide (CID 71936741) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide is CN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1(C#N)CCC1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide?
The InChIKey is ZPSVDRUZNAECEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-20(16(9-18)5-2-6-16)14(21)8-13-15(22)19-11-7-10(17)3-4-12(11)23-13/h3-4,7,13H,2,5-6,8H2,1H3,(H,19,22).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide has a molecular weight of 349.84 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(1-cyanocyclobutyl)-N-methylacetamide is sourced from PubChem (CID 71936741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).