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

C16H17NO3S — CID 42583116

IUPAC(7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2ccsc21
InChIInChI=1S/C16H17NO3S/c1-3-20-15-10(5-4-6-13(15)19-2)11-9-14(18)17-12-7-8-21-16(11)12/h4-8,11H,3,9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyDPEZIVKUYLCPFZ-LLVKDONJSA-N
MW303.38 g/mol
LogP3.63
Rot. Bonds4

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

(7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42583116) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42583116
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCCOc1c(OC)cccc1[C@H]1CC(=O)Nc2ccsc21
InChIInChI=1S/C16H17NO3S/c1-3-20-15-10(5-4-6-13(15)19-2)11-9-14(18)17-12-7-8-21-16(11)12/h4-8,11H,3,9H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyDPEZIVKUYLCPFZ-LLVKDONJSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42583116) is (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2ccsc21.
What is the InChIKey of (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is DPEZIVKUYLCPFZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-3-20-15-10(5-4-6-13(15)19-2)11-9-14(18)17-12-7-8-21-16(11)12/h4-8,11H,3,9H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 303.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42583116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).