2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C24H21N3O2S — CID 3928251

IUPAC2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(COc1ncnc2scc(-c3ccccc3)c12)NC1CCCc2ccccc21
InChIInChI=1S/C24H21N3O2S/c28-21(27-20-12-6-10-16-9-4-5-11-18(16)20)13-29-23-22-19(17-7-2-1-3-8-17)14-30-24(22)26-15-25-23/h1-5,7-9,11,14-15,20H,6,10,12-13H2,(H,27,28)
InChIKeyUQRCQWQJXQIAJT-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.93
Rot. Bonds5

About 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 3928251) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID3928251
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(COc1ncnc2scc(-c3ccccc3)c12)NC1CCCc2ccccc21
InChIInChI=1S/C24H21N3O2S/c28-21(27-20-12-6-10-16-9-4-5-11-18(16)20)13-29-23-22-19(17-7-2-1-3-8-17)14-30-24(22)26-15-25-23/h1-5,7-9,11,14-15,20H,6,10,12-13H2,(H,27,28)
InChIKeyUQRCQWQJXQIAJT-UHFFFAOYSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 3928251) is 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(COc1ncnc2scc(-c3ccccc3)c12)NC1CCCc2ccccc21.
What is the InChIKey of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is UQRCQWQJXQIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-21(27-20-12-6-10-16-9-4-5-11-18(16)20)13-29-23-22-19(17-7-2-1-3-8-17)14-30-24(22)26-15-25-23/h1-5,7-9,11,14-15,20H,6,10,12-13H2,(H,27,28).
What are the key properties of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 3928251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).