2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide

C18H16FN3O2S — CID 102556585

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1OCCc2ccsc21)Nc1c(F)cccc1-n1cccn1
InChIInChI=1S/C18H16FN3O2S/c19-13-3-1-4-14(22-8-2-7-20-22)17(13)21-16(23)11-15-18-12(5-9-24-15)6-10-25-18/h1-4,6-8,10,15H,5,9,11H2,(H,21,23)
InChIKeyRPEWPDAPGWXIED-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.72
Rot. Bonds4

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide (PubChem CID 102556585) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide
PubChem CID102556585
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide
SMILESO=C(CC1OCCc2ccsc21)Nc1c(F)cccc1-n1cccn1
InChIInChI=1S/C18H16FN3O2S/c19-13-3-1-4-14(22-8-2-7-20-22)17(13)21-16(23)11-15-18-12(5-9-24-15)6-10-25-18/h1-4,6-8,10,15H,5,9,11H2,(H,21,23)
InChIKeyRPEWPDAPGWXIED-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-fluoro-6-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide (CID 102556585) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide is O=C(CC1OCCc2ccsc21)Nc1c(F)cccc1-n1cccn1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide?
The InChIKey is RPEWPDAPGWXIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c19-13-3-1-4-14(22-8-2-7-20-22)17(13)21-16(23)11-15-18-12(5-9-24-15)6-10-25-18/h1-4,6-8,10,15H,5,9,11H2,(H,21,23).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.72, 4 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-(2-fluoro-6-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 102556585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).