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

C17H17N3O3S — CID 7150930

IUPACN-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O3S/c1-22-15-7-3-2-6-14(15)20-9-8-18-17(20)24-12-16(21)19-11-13-5-4-10-23-13/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyPFVFOLITEZOQNZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.88
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150930) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150930
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1ccnc1SCC(=O)NCc1ccco1
InChIInChI=1S/C17H17N3O3S/c1-22-15-7-3-2-6-14(15)20-9-8-18-17(20)24-12-16(21)19-11-13-5-4-10-23-13/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyPFVFOLITEZOQNZ-UHFFFAOYSA-N
XLogP2.88
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 709685
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151104
N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151124
N-Cyclopentyl-2-{[1-(2-methoxyphenyl)-1H-imidazol-2-YL]sulfanyl}acetamide
CID 16194301
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
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651858
2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
CID 662658
N-(2-ethoxyphenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 662804
N-(furan-2-ylmethyl)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetamide
CID 894506
2-[5-(4-Fluoro-phenyl)-1-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 1139039

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150930) is N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccccc1-n1ccnc1SCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is PFVFOLITEZOQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-15-7-3-2-6-14(15)20-9-8-18-17(20)24-12-16(21)19-11-13-5-4-10-23-13/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 343.41 g/mol, XLogP of 2.88, 7 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-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).