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

C20H15N3O2S — CID 4582216

IUPACN-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C20H15N3O2S/c1-13(24)23-15-8-5-9-16(10-15)25-19-18-17(14-6-3-2-4-7-14)11-26-20(18)22-12-21-19/h2-12H,1H3,(H,23,24)
InChIKeyXSADZCAPQDPLDI-UHFFFAOYSA-N
MW361.43 g/mol
LogP5.11
Rot. Bonds4

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

N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 4582216) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID4582216
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C20H15N3O2S/c1-13(24)23-15-8-5-9-16(10-15)25-19-18-17(14-6-3-2-4-7-14)11-26-20(18)22-12-21-19/h2-12H,1H3,(H,23,24)
InChIKeyXSADZCAPQDPLDI-UHFFFAOYSA-N
XLogP5.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide (CID 4582216) is N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccccc4)c23)c1.
What is the InChIKey of N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is XSADZCAPQDPLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13(24)23-15-8-5-9-16(10-15)25-19-18-17(14-6-3-2-4-7-14)11-26-20(18)22-12-21-19/h2-12H,1H3,(H,23,24).
What are the key properties of N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide?
N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 361.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 4582216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).