N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

C17H17F2NO2S — CID 102554881

IUPACN-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NCCc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO2S/c18-13-1-2-14(19)12(9-13)3-6-20-16(21)10-15-17-11(4-7-22-15)5-8-23-17/h1-2,5,8-9,15H,3-4,6-7,10H2,(H,20,21)
InChIKeyJUAUVXMMSOAGPF-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (PubChem CID 102554881) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
PubChem CID102554881
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NCCc1cc(F)ccc1F
InChIInChI=1S/C17H17F2NO2S/c18-13-1-2-14(19)12(9-13)3-6-20-16(21)10-15-17-11(4-7-22-15)5-8-23-17/h1-2,5,8-9,15H,3-4,6-7,10H2,(H,20,21)
InChIKeyJUAUVXMMSOAGPF-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (CID 102554881) is N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is O=C(CC1OCCc2ccsc21)NCCc1cc(F)ccc1F.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The InChIKey is JUAUVXMMSOAGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c18-13-1-2-14(19)12(9-13)3-6-20-16(21)10-15-17-11(4-7-22-15)5-8-23-17/h1-2,5,8-9,15H,3-4,6-7,10H2,(H,20,21).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide has a molecular weight of 337.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is sourced from PubChem (CID 102554881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).