2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

C16H14FN3O2S — CID 649091

IUPAC2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NCc1ccco1
InChIInChI=1S/C16H14FN3O2S/c17-12-5-3-11(4-6-12)14-9-19-16(20-14)23-10-15(21)18-8-13-2-1-7-22-13/h1-7,9H,8,10H2,(H,18,21)(H,19,20)
InChIKeyUXKWESHOCGIJFW-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.22
Rot. Bonds6

About 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 649091) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID649091
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NCc1ccco1
InChIInChI=1S/C16H14FN3O2S/c17-12-5-3-11(4-6-12)14-9-19-16(20-14)23-10-15(21)18-8-13-2-1-7-22-13/h1-7,9H,8,10H2,(H,18,21)(H,19,20)
InChIKeyUXKWESHOCGIJFW-UHFFFAOYSA-N
XLogP3.22
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 649091) is 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)NCc1ccco1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UXKWESHOCGIJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-12-5-3-11(4-6-12)14-9-19-16(20-14)23-10-15(21)18-8-13-2-1-7-22-13/h1-7,9H,8,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 649091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).