2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H14F3N3O3S — CID 7151129

IUPAC2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nccn1Cc1ccco1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)26-13-5-3-12(4-6-13)22-15(24)11-27-16-21-7-8-23(16)10-14-2-1-9-25-14/h1-9H,10-11H2,(H,22,24)
InChIKeyVESHQKWSTYSKDK-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.15
Rot. Bonds7

About 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7151129) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7151129
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1nccn1Cc1ccco1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O3S/c18-17(19,20)26-13-5-3-12(4-6-13)22-15(24)11-27-16-21-7-8-23(16)10-14-2-1-9-25-14/h1-9H,10-11H2,(H,22,24)
InChIKeyVESHQKWSTYSKDK-UHFFFAOYSA-N
XLogP4.15
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7151129) is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1nccn1Cc1ccco1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is VESHQKWSTYSKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c18-17(19,20)26-13-5-3-12(4-6-13)22-15(24)11-27-16-21-7-8-23(16)10-14-2-1-9-25-14/h1-9H,10-11H2,(H,22,24).
What are the key properties of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 397.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7151129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).