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

C14H18F3NO3S — CID 102554411

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CC(F)(F)F)C(=O)CC1OCCc2ccsc21
InChIInChI=1S/C14H18F3NO3S/c1-20-6-4-18(9-14(15,16)17)12(19)8-11-13-10(2-5-21-11)3-7-22-13/h3,7,11H,2,4-6,8-9H2,1H3
InChIKeyYAGWCSMOUXCGAA-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.79
Rot. Bonds6

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

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102554411) has the molecular formula C14H18F3NO3S and a molecular weight of 337.36 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102554411
Molecular FormulaC14H18F3NO3S
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOCCN(CC(F)(F)F)C(=O)CC1OCCc2ccsc21
InChIInChI=1S/C14H18F3NO3S/c1-20-6-4-18(9-14(15,16)17)12(19)8-11-13-10(2-5-21-11)3-7-22-13/h3,7,11H,2,4-6,8-9H2,1H3
InChIKeyYAGWCSMOUXCGAA-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 102554411) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is COCCN(CC(F)(F)F)C(=O)CC1OCCc2ccsc21.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YAGWCSMOUXCGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3S/c1-20-6-4-18(9-14(15,16)17)12(19)8-11-13-10(2-5-21-11)3-7-22-13/h3,7,11H,2,4-6,8-9H2,1H3.
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 337.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102554411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).