4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one

C19H19NO3S — CID 100634280

IUPAC4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one
SMILESCCCCOc1ccc(C(=O)Cn2ccc(=O)c3sccc32)cc1
InChIInChI=1S/C19H19NO3S/c1-2-3-11-23-15-6-4-14(5-7-15)18(22)13-20-10-8-17(21)19-16(20)9-12-24-19/h4-10,12H,2-3,11,13H2,1H3
InChIKeyOMAGJPNHSITAMR-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.12
Rot. Bonds7

About 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one

4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one (PubChem CID 100634280) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one
PubChem CID100634280
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one
SMILESCCCCOc1ccc(C(=O)Cn2ccc(=O)c3sccc32)cc1
InChIInChI=1S/C19H19NO3S/c1-2-3-11-23-15-6-4-14(5-7-15)18(22)13-20-10-8-17(21)19-16(20)9-12-24-19/h4-10,12H,2-3,11,13H2,1H3
InChIKeyOMAGJPNHSITAMR-UHFFFAOYSA-N
XLogP4.12
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
2-(4-methylpiperazin-1-yl)-1-(4-octadecoxyphenyl)ethanone
CID 170861782
2-amino-1-(4-butoxyphenyl)ethanone;hydrochloride
CID 173461436
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
2-bromo-1-(4-decoxyphenyl)ethanone
CID 13435454
1,6-bis(4-dodecoxyphenyl)hexane-1,3,4,6-tetrone
CID 71405251
butyl 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetate
CID 54940897
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 44789313
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-methylpyrazine-2,3-dione
CID 62928915
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
CID 105101200
1-(4-butoxyphenyl)-4,4,4-trifluorobutan-1-one
CID 105106823
3-(4-hexoxyphenyl)-3-oxopropanoic acid
CID 170886905

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one?
The IUPAC name of 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one (CID 100634280) is 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one.
What is the SMILES notation for 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one?
The canonical SMILES for 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one is CCCCOc1ccc(C(=O)Cn2ccc(=O)c3sccc32)cc1.
What is the InChIKey of 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one?
The InChIKey is OMAGJPNHSITAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-2-3-11-23-15-6-4-14(5-7-15)18(22)13-20-10-8-17(21)19-16(20)9-12-24-19/h4-10,12H,2-3,11,13H2,1H3.
What are the key properties of 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one?
4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one has a molecular weight of 341.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butoxyphenyl)-2-oxoethyl]thieno[3,2-b]pyridin-7-one is sourced from PubChem (CID 100634280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).