(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C20H17NO2S — CID 42559305

IUPAC(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2sccc2N1
InChIInChI=1S/C20H17NO2S/c22-19-12-17(20-18(21-19)10-11-24-20)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H,21,22)/t17-/m1/s1
InChIKeyZJDOFYUECICHLF-QGZVFWFLSA-N
MW335.43 g/mol
LogP4.80
Rot. Bonds4

About (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42559305) has the molecular formula C20H17NO2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42559305
Molecular FormulaC20H17NO2S
Molecular Weight335.43 g/mol
Exact Mass335.10
IUPAC Name(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2sccc2N1
InChIInChI=1S/C20H17NO2S/c22-19-12-17(20-18(21-19)10-11-24-20)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H,21,22)/t17-/m1/s1
InChIKeyZJDOFYUECICHLF-QGZVFWFLSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42559305) is (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@H](c2ccc(OCc3ccccc3)cc2)c2sccc2N1.
What is the InChIKey of (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is ZJDOFYUECICHLF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17NO2S/c22-19-12-17(20-18(21-19)10-11-24-20)15-6-8-16(9-7-15)23-13-14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H,21,22)/t17-/m1/s1.
What are the key properties of (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 335.43 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42559305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).