N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

C19H19N3O4S — CID 55355901

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1sc2ncnc(OCC(=O)NCC3COc4ccccc4O3)c2c1C
InChIInChI=1S/C19H19N3O4S/c1-11-12(2)27-19-17(11)18(21-10-22-19)25-9-16(23)20-7-13-8-24-14-5-3-4-6-15(14)26-13/h3-6,10,13H,7-9H2,1-2H3,(H,20,23)
InChIKeyNQKYOKZEVGILQC-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.64
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 55355901) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
PubChem CID55355901
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1sc2ncnc(OCC(=O)NCC3COc4ccccc4O3)c2c1C
InChIInChI=1S/C19H19N3O4S/c1-11-12(2)27-19-17(11)18(21-10-22-19)25-9-16(23)20-7-13-8-24-14-5-3-4-6-15(14)26-13/h3-6,10,13H,7-9H2,1-2H3,(H,20,23)
InChIKeyNQKYOKZEVGILQC-UHFFFAOYSA-N
XLogP2.64
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,3-dimethylphenoxy)acetamide
CID 127113071
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(2-methylpropyl)acetamide
CID 2477330
2-(4-chloro-2,6-dimethylphenoxy)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 7758379
2-(4-bromo-3,5-dimethylphenoxy)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 100578615
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8872816
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45166756
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 43043018
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133250855
2-(4-chloro-2-methylphenoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 2079986
2-(2-bromophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 18171240

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide (CID 55355901) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is Cc1sc2ncnc(OCC(=O)NCC3COc4ccccc4O3)c2c1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is NQKYOKZEVGILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-11-12(2)27-19-17(11)18(21-10-22-19)25-9-16(23)20-7-13-8-24-14-5-3-4-6-15(14)26-13/h3-6,10,13H,7-9H2,1-2H3,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 385.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 55355901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).