N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C20H17F3N4O4S2 — CID 43050532

IUPACN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H17F3N4O4S2/c1-26(33(29,30)18-5-3-9-32-18)12-17(28)25-19-24-15-10-13(20(21,22)23)6-7-16(15)27(19)11-14-4-2-8-31-14/h2-10H,11-12H2,1H3,(H,24,25,28)
InChIKeyVGZPOCJTLFHYQK-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.02
Rot. Bonds7

About N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 43050532) has the molecular formula C20H17F3N4O4S2 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID43050532
Molecular FormulaC20H17F3N4O4S2
Molecular Weight498.51 g/mol
Exact Mass498.06
IUPAC NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H17F3N4O4S2/c1-26(33(29,30)18-5-3-9-32-18)12-17(28)25-19-24-15-10-13(20(21,22)23)6-7-16(15)27(19)11-14-4-2-8-31-14/h2-10H,11-12H2,1H3,(H,24,25,28)
InChIKeyVGZPOCJTLFHYQK-UHFFFAOYSA-N
XLogP4.02
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 43050532) is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is VGZPOCJTLFHYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4S2/c1-26(33(29,30)18-5-3-9-32-18)12-17(28)25-19-24-15-10-13(20(21,22)23)6-7-16(15)27(19)11-14-4-2-8-31-14/h2-10H,11-12H2,1H3,(H,24,25,28).
What are the key properties of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 498.51 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 43050532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).