7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one

C18H17NO3S — CID 164950352

IUPAC7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one
SMILESCOc1c(C(C)=O)c2sccc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C18H17NO3S/c1-12(20)15-16(22-2)18(21)19(14-9-11-23-17(14)15)10-8-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3
InChIKeyNDVAFJFJYKXYQF-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.52
Rot. Bonds5

About 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one

7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one (PubChem CID 164950352) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one
PubChem CID164950352
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one
SMILESCOc1c(C(C)=O)c2sccc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C18H17NO3S/c1-12(20)15-16(22-2)18(21)19(14-9-11-23-17(14)15)10-8-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3
InChIKeyNDVAFJFJYKXYQF-UHFFFAOYSA-N
XLogP3.52
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one (CID 164950352) is 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one is COc1c(C(C)=O)c2sccc2n(CCc2ccccc2)c1=O.
What is the InChIKey of 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one?
The InChIKey is NDVAFJFJYKXYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12(20)15-16(22-2)18(21)19(14-9-11-23-17(14)15)10-8-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one?
7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one has a molecular weight of 327.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 164950352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).