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

C25H24N4O2S — CID 2419526

IUPAC2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O2S/c30-22(28-19-9-11-20(12-10-19)29-13-5-2-6-14-29)15-31-24-23-21(18-7-3-1-4-8-18)16-32-25(23)27-17-26-24/h1,3-4,7-12,16-17H,2,5-6,13-15H2,(H,28,30)
InChIKeyNNYZTFCASCOEEJ-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.37
Rot. Bonds6

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

2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 2419526) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID2419526
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC Name2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O2S/c30-22(28-19-9-11-20(12-10-19)29-13-5-2-6-14-29)15-31-24-23-21(18-7-3-1-4-8-18)16-32-25(23)27-17-26-24/h1,3-4,7-12,16-17H,2,5-6,13-15H2,(H,28,30)
InChIKeyNNYZTFCASCOEEJ-UHFFFAOYSA-N
XLogP5.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2708025
N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483746
N-(2-ethylphenyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 112775965
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 30762194
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
CID 2085156
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxy)acetamide
CID 2484032
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
N-tert-butyl-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2483706

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide (CID 2419526) is 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide is O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is NNYZTFCASCOEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c30-22(28-19-9-11-20(12-10-19)29-13-5-2-6-14-29)15-31-24-23-21(18-7-3-1-4-8-18)16-32-25(23)27-17-26-24/h1,3-4,7-12,16-17H,2,5-6,13-15H2,(H,28,30).
What are the key properties of 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide?
2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 444.56 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 2419526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).