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

C22H21NO3S — CID 42556471

IUPAC(7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCCc1ccccc1
InChIInChI=1S/C22H21NO3S/c1-25-19-9-5-8-16(17-14-20(24)23-18-11-13-27-22(17)18)21(19)26-12-10-15-6-3-2-4-7-15/h2-9,11,13,17H,10,12,14H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyCSRTWGONOQTODF-QGZVFWFLSA-N
MW379.48 g/mol
LogP4.85
Rot. Bonds6

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

(7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42556471) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42556471
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCCc1ccccc1
InChIInChI=1S/C22H21NO3S/c1-25-19-9-5-8-16(17-14-20(24)23-18-11-13-27-22(17)18)21(19)26-12-10-15-6-3-2-4-7-15/h2-9,11,13,17H,10,12,14H2,1H3,(H,23,24)/t17-/m1/s1
InChIKeyCSRTWGONOQTODF-QGZVFWFLSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42556471) is (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1OCCc1ccccc1.
What is the InChIKey of (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is CSRTWGONOQTODF-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-25-19-9-5-8-16(17-14-20(24)23-18-11-13-27-22(17)18)21(19)26-12-10-15-6-3-2-4-7-15/h2-9,11,13,17H,10,12,14H2,1H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 379.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42556471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).