2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide

C18H12F3N3O4S2 — CID 59443936

IUPAC2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide
SMILESO=C(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H12F3N3O4S2/c19-18(20,21)14-6-12(11-3-4-28-10-11)8-24-9-13(22-17(14)24)7-15(25)23-30(26,27)16-2-1-5-29-16/h1-6,8-10H,7H2,(H,23,25)
InChIKeyMBNZGEMYXDJMAR-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.72
Rot. Bonds5

About 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide

2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide (PubChem CID 59443936) has the molecular formula C18H12F3N3O4S2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide
PubChem CID59443936
Molecular FormulaC18H12F3N3O4S2
Molecular Weight455.44 g/mol
Exact Mass455.02
IUPAC Name2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide
SMILESO=C(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H12F3N3O4S2/c19-18(20,21)14-6-12(11-3-4-28-10-11)8-24-9-13(22-17(14)24)7-15(25)23-30(26,27)16-2-1-5-29-16/h1-6,8-10H,7H2,(H,23,25)
InChIKeyMBNZGEMYXDJMAR-UHFFFAOYSA-N
XLogP3.72
TPSA93.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide?
The IUPAC name of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide (CID 59443936) is 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide is O=C(Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide?
The InChIKey is MBNZGEMYXDJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O4S2/c19-18(20,21)14-6-12(11-3-4-28-10-11)8-24-9-13(22-17(14)24)7-15(25)23-30(26,27)16-2-1-5-29-16/h1-6,8-10H,7H2,(H,23,25).
What are the key properties of 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide?
2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide has a molecular weight of 455.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-N-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 59443936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).