N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C16H13N3O4S — CID 2997851

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESO=C(COc1ncnc2sccc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13N3O4S/c20-14(8-23-15-11-3-6-24-16(11)18-9-17-15)19-10-1-2-12-13(7-10)22-5-4-21-12/h1-3,6-7,9H,4-5,8H2,(H,19,20)
InChIKeyNVMOICIIZWAJCA-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.48
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2997851) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2997851
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESO=C(COc1ncnc2sccc12)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13N3O4S/c20-14(8-23-15-11-3-6-24-16(11)18-9-17-15)19-10-1-2-12-13(7-10)22-5-4-21-12/h1-3,6-7,9H,4-5,8H2,(H,19,20)
InChIKeyNVMOICIIZWAJCA-UHFFFAOYSA-N
XLogP2.48
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2997851) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is O=C(COc1ncnc2sccc12)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is NVMOICIIZWAJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-14(8-23-15-11-3-6-24-16(11)18-9-17-15)19-10-1-2-12-13(7-10)22-5-4-21-12/h1-3,6-7,9H,4-5,8H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 343.36 g/mol, XLogP of 2.48, 4 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-6-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2997851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).