2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide

C21H19FN2O3S — CID 102556346

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(CC1OCCc2ccsc21)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H19FN2O3S/c22-16-2-4-17(5-3-16)27-20-6-1-14(13-24-20)12-23-19(25)11-18-21-15(7-9-26-18)8-10-28-21/h1-6,8,10,13,18H,7,9,11-12H2,(H,23,25)
InChIKeyJTDTWTUUKOYVBD-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.39
Rot. Bonds6

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 102556346) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
PubChem CID102556346
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
SMILESO=C(CC1OCCc2ccsc21)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H19FN2O3S/c22-16-2-4-17(5-3-16)27-20-6-1-14(13-24-20)12-23-19(25)11-18-21-15(7-9-26-18)8-10-28-21/h1-6,8,10,13,18H,7,9,11-12H2,(H,23,25)
InChIKeyJTDTWTUUKOYVBD-UHFFFAOYSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide
CID 75371773
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 102557321
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 55800584
(2S)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methylmorpholine-4-carboxamide
CID 94030864
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
5-(dithiolan-3-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pentanamide
CID 55859159
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetamide
CID 95174145
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 55800518
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
CID 86879860
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 97072566

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide (CID 102556346) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide is O=C(CC1OCCc2ccsc21)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is JTDTWTUUKOYVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-16-2-4-17(5-3-16)27-20-6-1-14(13-24-20)12-23-19(25)11-18-21-15(7-9-26-18)8-10-28-21/h1-6,8,10,13,18H,7,9,11-12H2,(H,23,25).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 102556346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).