N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

C16H14FN3O2S — CID 7151118

IUPACN-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-5-13(6-4-12)19-15(21)11-23-16-18-7-8-20(16)10-14-2-1-9-22-14/h1-9H,10-11H2,(H,19,21)
InChIKeyWKTKHRZIXVMVCZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.39
Rot. Bonds6

About N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7151118) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7151118
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O2S/c17-12-3-5-13(6-4-12)19-15(21)11-23-16-18-7-8-20(16)10-14-2-1-9-22-14/h1-9H,10-11H2,(H,19,21)
InChIKeyWKTKHRZIXVMVCZ-UHFFFAOYSA-N
XLogP3.39
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 7151118) is N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is O=C(CSc1nccn1Cc1ccco1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is WKTKHRZIXVMVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-12-3-5-13(6-4-12)19-15(21)11-23-16-18-7-8-20(16)10-14-2-1-9-22-14/h1-9H,10-11H2,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 331.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).