[5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate

C19H20FNO4S — CID 53378560

IUPAC[5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate
SMILESCCC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1F)C2
InChIInChI=1S/C19H20FNO4S/c1-3-16(22)25-17-10-12-11-21(9-8-15(12)26-17)18(19(23)24-2)13-6-4-5-7-14(13)20/h4-7,10,18H,3,8-9,11H2,1-2H3/t18-/m0/s1
InChIKeyHQNWQZVZNMZSAS-SFHVURJKSA-N
MW377.44 g/mol
LogP3.47
Rot. Bonds5

About [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate

[5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate (PubChem CID 53378560) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate.

Molecular Properties

Compound Name[5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate
PubChem CID53378560
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name[5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate
SMILESCCC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1F)C2
InChIInChI=1S/C19H20FNO4S/c1-3-16(22)25-17-10-12-11-21(9-8-15(12)26-17)18(19(23)24-2)13-6-4-5-7-14(13)20/h4-7,10,18H,3,8-9,11H2,1-2H3/t18-/m0/s1
InChIKeyHQNWQZVZNMZSAS-SFHVURJKSA-N
XLogP3.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate?
The IUPAC name of [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate (CID 53378560) is [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate.
What is the SMILES notation for [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate?
The canonical SMILES for [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate is CCC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)OC)c1ccccc1F)C2.
What is the InChIKey of [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate?
The InChIKey is HQNWQZVZNMZSAS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-3-16(22)25-17-10-12-11-21(9-8-15(12)26-17)18(19(23)24-2)13-6-4-5-7-14(13)20/h4-7,10,18H,3,8-9,11H2,1-2H3/t18-/m0/s1.
What are the key properties of [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate?
[5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate has a molecular weight of 377.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-(2-fluorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate is sourced from PubChem (CID 53378560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).