oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C19H21NO2S — CID 51073766

IUPACoxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(C1CCOCC1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C19H21NO2S/c21-19(15-7-11-22-12-8-15)20-10-6-17-16(9-13-23-17)18(20)14-4-2-1-3-5-14/h1-5,9,13,15,18H,6-8,10-12H2
InChIKeySYSXJLCCWPODOK-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.65
Rot. Bonds2

About oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 51073766) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID51073766
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Nameoxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(C1CCOCC1)N1CCc2sccc2C1c1ccccc1
InChIInChI=1S/C19H21NO2S/c21-19(15-7-11-22-12-8-15)20-10-6-17-16(9-13-23-17)18(20)14-4-2-1-3-5-14/h1-5,9,13,15,18H,6-8,10-12H2
InChIKeySYSXJLCCWPODOK-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide
CID 42896733
3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one
CID 46410125
cyclopropyl-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 7349676
[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 33172007
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 51073766) is oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(C1CCOCC1)N1CCc2sccc2C1c1ccccc1.
What is the InChIKey of oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is SYSXJLCCWPODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c21-19(15-7-11-22-12-8-15)20-10-6-17-16(9-13-23-17)18(20)14-4-2-1-3-5-14/h1-5,9,13,15,18H,6-8,10-12H2.
What are the key properties of oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 327.45 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 51073766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).