N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide

C22H18N2O5S — CID 20944810

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide
SMILESO=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H18N2O5S/c25-22(23-15-9-10-18-19(13-15)29-12-11-28-18)14-24-16-5-1-3-7-20(16)30(26,27)21-8-4-2-6-17(21)24/h1-10,13H,11-12,14H2,(H,23,25)
InChIKeyNFABIRDFFNPWEV-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.38
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide (PubChem CID 20944810) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide
PubChem CID20944810
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide
SMILESO=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H18N2O5S/c25-22(23-15-9-10-18-19(13-15)29-12-11-28-18)14-24-16-5-1-3-7-20(16)30(26,27)21-8-4-2-6-17(21)24/h1-10,13H,11-12,14H2,(H,23,25)
InChIKeyNFABIRDFFNPWEV-UHFFFAOYSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 8701924
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 18165431
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
N-(1,3-benzodioxol-5-yl)-2-(1,1,4-trioxo-2-phenyl-2,3-dihydro-1λ6,5-benzothiazepin-5-yl)acetamide
CID 20890398
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113201580
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2597901
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
N-(1,3-benzodioxol-5-yl)-2-[2-(furan-2-yl)-1,1,4-trioxo-2,3-dihydro-1λ6,5-benzothiazepin-5-yl]acetamide
CID 43955001
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 98406828
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878131

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide (CID 20944810) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide is O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide?
The InChIKey is NFABIRDFFNPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5S/c25-22(23-15-9-10-18-19(13-15)29-12-11-28-18)14-24-16-5-1-3-7-20(16)30(26,27)21-8-4-2-6-17(21)24/h1-10,13H,11-12,14H2,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide has a molecular weight of 422.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5,5-dioxophenothiazin-10-yl)acetamide is sourced from PubChem (CID 20944810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).