ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate

C14H17N3O4S — CID 7151109

IUPACethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nccn1Cc1ccco1
InChIInChI=1S/C14H17N3O4S/c1-2-20-13(19)8-16-12(18)10-22-14-15-5-6-17(14)9-11-4-3-7-21-11/h3-7H,2,8-10H2,1H3,(H,16,18)
InChIKeyGMTBQAIWWKEXGU-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.30
Rot. Bonds8

About ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate

ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate (PubChem CID 7151109) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate
PubChem CID7151109
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Nameethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nccn1Cc1ccco1
InChIInChI=1S/C14H17N3O4S/c1-2-20-13(19)8-16-12(18)10-22-14-15-5-6-17(14)9-11-4-3-7-21-11/h3-7H,2,8-10H2,1H3,(H,16,18)
InChIKeyGMTBQAIWWKEXGU-UHFFFAOYSA-N
XLogP1.30
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate (CID 7151109) is ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nccn1Cc1ccco1.
What is the InChIKey of ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate?
The InChIKey is GMTBQAIWWKEXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-2-20-13(19)8-16-12(18)10-22-14-15-5-6-17(14)9-11-4-3-7-21-11/h3-7H,2,8-10H2,1H3,(H,16,18).
What are the key properties of ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate?
ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate has a molecular weight of 323.37 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]acetate is sourced from PubChem (CID 7151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).