2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide

C23H21FN2O3S — CID 46965286

IUPAC2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide
SMILESCOCC(=O)N1CCc2sccc2C1c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O3S/c1-29-14-21(27)26-12-10-20-18(11-13-30-20)22(26)15-6-8-16(9-7-15)25-23(28)17-4-2-3-5-19(17)24/h2-9,11,13,22H,10,12,14H2,1H3,(H,25,28)
InChIKeyBQCNTHOFOLBZLK-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.26
Rot. Bonds5

About 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide

2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide (PubChem CID 46965286) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide
PubChem CID46965286
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide
SMILESCOCC(=O)N1CCc2sccc2C1c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C23H21FN2O3S/c1-29-14-21(27)26-12-10-20-18(11-13-30-20)22(26)15-6-8-16(9-7-15)25-23(28)17-4-2-3-5-19(17)24/h2-9,11,13,22H,10,12,14H2,1H3,(H,25,28)
InChIKeyBQCNTHOFOLBZLK-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide with MolForge

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Related Compounds

1-[(4S)-4-[4-[(2,4-difluorophenyl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methoxyethanone
CID 92610856
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
1-[(4S)-4-[4-[(4-ethoxyphenyl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methoxyethanone
CID 92593852
2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride
CID 171667199
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7495269
N-butan-2-yl-2-fluoro-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3925230
2-fluoro-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enylbenzamide
CID 5034423
(4R)-N-(4-fluorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51925621
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-(2-methoxyethyl)azanium
CID 7337769
2-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3963088

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide (CID 46965286) is 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide is COCC(=O)N1CCc2sccc2C1c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide?
The InChIKey is BQCNTHOFOLBZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-29-14-21(27)26-12-10-20-18(11-13-30-20)22(26)15-6-8-16(9-7-15)25-23(28)17-4-2-3-5-19(17)24/h2-9,11,13,22H,10,12,14H2,1H3,(H,25,28).
What are the key properties of 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide?
2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[5-(2-methoxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-4-yl]phenyl]benzamide is sourced from PubChem (CID 46965286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).