4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine

C23H21N3O4S2 — CID 163405561

IUPAC4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
SMILESO=S(=O)(c1cccc(Oc2ccccc2)c1)N1CCC(Oc2ncnc3ccsc23)CC1
InChIInChI=1S/C23H21N3O4S2/c27-32(28,20-8-4-7-19(15-20)29-17-5-2-1-3-6-17)26-12-9-18(10-13-26)30-23-22-21(11-14-31-22)24-16-25-23/h1-8,11,14-16,18H,9-10,12-13H2
InChIKeyZPUDYFIURLZBHL-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.72
Rot. Bonds6

About 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine

4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine (PubChem CID 163405561) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
PubChem CID163405561
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine
SMILESO=S(=O)(c1cccc(Oc2ccccc2)c1)N1CCC(Oc2ncnc3ccsc23)CC1
InChIInChI=1S/C23H21N3O4S2/c27-32(28,20-8-4-7-19(15-20)29-17-5-2-1-3-6-17)26-12-9-18(10-13-26)30-23-22-21(11-14-31-22)24-16-25-23/h1-8,11,14-16,18H,9-10,12-13H2
InChIKeyZPUDYFIURLZBHL-UHFFFAOYSA-N
XLogP4.72
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The IUPAC name of 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine (CID 163405561) is 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine is O=S(=O)(c1cccc(Oc2ccccc2)c1)N1CCC(Oc2ncnc3ccsc23)CC1.
What is the InChIKey of 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
The InChIKey is ZPUDYFIURLZBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c27-32(28,20-8-4-7-19(15-20)29-17-5-2-1-3-6-17)26-12-9-18(10-13-26)30-23-22-21(11-14-31-22)24-16-25-23/h1-8,11,14-16,18H,9-10,12-13H2.
What are the key properties of 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine?
4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine has a molecular weight of 467.57 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-phenoxyphenyl)sulfonylpiperidin-4-yl]oxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 163405561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).