2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

C18H16FN3O4S — CID 86266913

IUPAC2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCc1noc(-c2c(NC(=O)COc3ccccc3F)sc3c2CCOC3)n1
InChIInChI=1S/C18H16FN3O4S/c1-10-20-17(26-22-10)16-11-6-7-24-8-14(11)27-18(16)21-15(23)9-25-13-5-3-2-4-12(13)19/h2-5H,6-9H2,1H3,(H,21,23)
InChIKeyBETNOEWNGNZWMH-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide

2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (PubChem CID 86266913) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
PubChem CID86266913
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide
SMILESCc1noc(-c2c(NC(=O)COc3ccccc3F)sc3c2CCOC3)n1
InChIInChI=1S/C18H16FN3O4S/c1-10-20-17(26-22-10)16-11-6-7-24-8-14(11)27-18(16)21-15(23)9-25-13-5-3-2-4-12(13)19/h2-5H,6-9H2,1H3,(H,21,23)
InChIKeyBETNOEWNGNZWMH-UHFFFAOYSA-N
XLogP3.34
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide (CID 86266913) is 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is Cc1noc(-c2c(NC(=O)COc3ccccc3F)sc3c2CCOC3)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
The InChIKey is BETNOEWNGNZWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c1-10-20-17(26-22-10)16-11-6-7-24-8-14(11)27-18(16)21-15(23)9-25-13-5-3-2-4-12(13)19/h2-5H,6-9H2,1H3,(H,21,23).
What are the key properties of 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide?
2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]acetamide is sourced from PubChem (CID 86266913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).