2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide

C20H17N3O3S — CID 28591723

IUPAC2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCc1cccnc1
InChIInChI=1S/C20H17N3O3S/c24-20(22-13-15-6-5-11-21-12-15)14-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)27(23,25)26/h1-12H,13-14H2,(H,22,24)
InChIKeyJRRYGJWBIYESGC-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.57
Rot. Bonds4

About 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 28591723) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID28591723
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCc1cccnc1
InChIInChI=1S/C20H17N3O3S/c24-20(22-13-15-6-5-11-21-12-15)14-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)27(23,25)26/h1-12H,13-14H2,(H,22,24)
InChIKeyJRRYGJWBIYESGC-UHFFFAOYSA-N
XLogP2.57
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 20882774
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
6-benzylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 86120283
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 17200822
2-(4-aminotriazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 112522186
N-(pyridin-3-ylmethyl)carbamate
CID 19082872

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 28591723) is 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCc1cccnc1.
What is the InChIKey of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is JRRYGJWBIYESGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-20(22-13-15-6-5-11-21-12-15)14-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)27(23,25)26/h1-12H,13-14H2,(H,22,24).
What are the key properties of 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 379.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 28591723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).