N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

C18H16N2O4S — CID 645878

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O4S/c21-17(19-12-5-6-14-15(9-12)24-8-7-23-14)10-20-13-3-1-2-4-16(13)25-11-18(20)22/h1-6,9H,7-8,10-11H2,(H,19,21)
InChIKeyYVFJRXGDJUJPQL-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.54
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (PubChem CID 645878) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
PubChem CID645878
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
SMILESO=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H16N2O4S/c21-17(19-12-5-6-14-15(9-12)24-8-7-23-14)10-20-13-3-1-2-4-16(13)25-11-18(20)22/h1-6,9H,7-8,10-11H2,(H,19,21)
InChIKeyYVFJRXGDJUJPQL-UHFFFAOYSA-N
XLogP2.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylsulfanylacetamide
CID 2121892
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 2441633
3-[(2-Aminophenyl)thio]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2,5-dione
CID 2731588
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 985723
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 649037
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1085953
N~2~-(3,4-dimethoxyphenyl)-N-[2-(phenylsulfanyl)ethyl]-N~2~-(phenylsulfonyl)glycinamide
CID 2213888
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2419564
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-ethyl-N~2~-(phenylsulfonyl)glycinamide
CID 2991615
N-Cyclopentyl-2-((2,3-dihydro-benzo[1,4]dioxin-6-yl)-{2-[(4-fluoro-phenylcarbamoyl)-methanesulfinyl]-acetyl}-amino)-propionamide
CID 3149285

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide (CID 645878) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is O=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
The InChIKey is YVFJRXGDJUJPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c21-17(19-12-5-6-14-15(9-12)24-8-7-23-14)10-20-13-3-1-2-4-16(13)25-11-18(20)22/h1-6,9H,7-8,10-11H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide is sourced from PubChem (CID 645878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).