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

C18H19N3O3S — CID 7151123

IUPACN-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-23-15-7-5-14(6-8-15)20-17(22)13-25-18-19-9-10-21(18)12-16-4-3-11-24-16/h3-11H,2,12-13H2,1H3,(H,20,22)
InChIKeyJQEDYXZNGVLHRQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.65
Rot. Bonds8

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

N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7151123) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7151123
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1
InChIInChI=1S/C18H19N3O3S/c1-2-23-15-7-5-14(6-8-15)20-17(22)13-25-18-19-9-10-21(18)12-16-4-3-11-24-16/h3-11H,2,12-13H2,1H3,(H,20,22)
InChIKeyJQEDYXZNGVLHRQ-UHFFFAOYSA-N
XLogP3.65
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 7151123) is N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is CCOc1ccc(NC(=O)CSc2nccn2Cc2ccco2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is JQEDYXZNGVLHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-23-15-7-5-14(6-8-15)20-17(22)13-25-18-19-9-10-21(18)12-16-4-3-11-24-16/h3-11H,2,12-13H2,1H3,(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 357.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).