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

C18H19N3O3S — CID 7151049

IUPACN-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O3S/c1-23-15-6-4-14(5-7-15)12-21-9-8-19-18(21)25-13-17(22)20-11-16-3-2-10-24-16/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeyAHKJNOFKEDIHRG-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.94
Rot. Bonds8

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

N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151049) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151049
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O3S/c1-23-15-6-4-14(5-7-15)12-21-9-8-19-18(21)25-13-17(22)20-11-16-3-2-10-24-16/h2-10H,11-13H2,1H3,(H,20,22)
InChIKeyAHKJNOFKEDIHRG-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hexyloxy)-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4199636
N-(2-furylmethyl)-2-{[1-(2-methoxyphenyl)-1H-imidazol-2-yl]thio}acetamide
CID 7150930
2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151044
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151104
1-[3-(Furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 17427107
N-(2,5-dimethylphenyl)-2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)acetamide
CID 24891909
N-(2,4-dimethylphenyl)-2-({1-[(furan-2-yl)methyl]-1H-imidazol-2-yl}sulfanyl)acetamide
CID 24891927
N-[(Z)-2-Furan-2-yl-1-(3-imidazol-1-yl-propylcarbamoyl)-vinyl]-4-methoxy-benzamide
CID 12005525
4-(2-Imidazol-1-yl-ethoxy)-N-methyl-benzamide
CID 13569196
1-[2-(4-Acetylcarbamoylphenoxy)ethyl]imidazole
CID 13569200
1-[2-(4-Benzoylcarbamoylphenoxy)ethyl]imidazole
CID 13569201
N-(2-(2-Furyl)-1-(((3-(1H-imidazol-1-YL)PR)amino)carbonyl)vinyl)-4-ME-benzamide
CID 5907494

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151049) is N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is COc1ccc(Cn2ccnc2SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is AHKJNOFKEDIHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-23-15-6-4-14(5-7-15)12-21-9-8-19-18(21)25-13-17(22)20-11-16-3-2-10-24-16/h2-10H,11-13H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 357.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).