N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C16H15N3O2S — CID 2433509

IUPACN-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCCN(C(=O)COc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-2-19(12-6-4-3-5-7-12)14(20)10-21-15-13-8-9-22-16(13)18-11-17-15/h3-9,11H,2,10H2,1H3
InChIKeyVKRMLERWXRLFLE-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.12
Rot. Bonds5

About N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2433509) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2433509
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCCN(C(=O)COc1ncnc2sccc12)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c1-2-19(12-6-4-3-5-7-12)14(20)10-21-15-13-8-9-22-16(13)18-11-17-15/h3-9,11H,2,10H2,1H3
InChIKeyVKRMLERWXRLFLE-UHFFFAOYSA-N
XLogP3.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2433509) is N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CCN(C(=O)COc1ncnc2sccc12)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is VKRMLERWXRLFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-19(12-6-4-3-5-7-12)14(20)10-21-15-13-8-9-22-16(13)18-11-17-15/h3-9,11H,2,10H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 313.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2433509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).