(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C20H16FNOS2 — CID 94086391

IUPAC(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCSc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1
InChIInChI=1S/C20H16FNOS2/c1-24-15-7-5-12(6-8-15)16-10-18(23)22-19-17(11-25-20(16)19)13-3-2-4-14(21)9-13/h2-9,11,16H,10H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyVMOPHBIIVAECDY-INIZCTEOSA-N
MW369.49 g/mol
LogP5.75
Rot. Bonds3

About (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 94086391) has the molecular formula C20H16FNOS2 and a molecular weight of 369.49 g/mol. Its IUPAC name is (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID94086391
Molecular FormulaC20H16FNOS2
Molecular Weight369.49 g/mol
Exact Mass369.07
IUPAC Name(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCSc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1
InChIInChI=1S/C20H16FNOS2/c1-24-15-7-5-12(6-8-15)16-10-18(23)22-19-17(11-25-20(16)19)13-3-2-4-14(21)9-13/h2-9,11,16H,10H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyVMOPHBIIVAECDY-INIZCTEOSA-N
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

3-(3-fluorophenyl)-7-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811519
7-(3,5-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811465
(7S)-7-(3-bromophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086462
(7R)-3-(3-fluorophenyl)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086440
(7S)-7-(2-chlorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086467
2-[4-[3-(3-fluorophenyl)-5-oxo-6,7-dihydro-4H-thieno[3,2-b]pyridin-7-yl]phenoxy]acetamide
CID 50811535
(7R)-7-(4-ethoxy-3-methoxyphenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086408
(7S)-3,7-bis(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086063
(7S)-3-(3-fluorophenyl)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086415
(7R)-7-(4-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715912
(7R)-7-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086539
(7R)-7-(4-ethoxyphenyl)-3-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 92715902

Frequently Asked Questions

What is the IUPAC name of (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 94086391) is (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is CSc1ccc([C@@H]2CC(=O)Nc3c(-c4cccc(F)c4)csc32)cc1.
What is the InChIKey of (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is VMOPHBIIVAECDY-INIZCTEOSA-N. The full InChI is InChI=1S/C20H16FNOS2/c1-24-15-7-5-12(6-8-15)16-10-18(23)22-19-17(11-25-20(16)19)13-3-2-4-14(21)9-13/h2-9,11,16H,10H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 369.49 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-(3-fluorophenyl)-7-(4-methylsulfanylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 94086391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).