N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

C18H19N3O2S — CID 24891909

IUPACN-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nccn2Cc2ccco2)c1
InChIInChI=1S/C18H19N3O2S/c1-13-5-6-14(2)16(10-13)20-17(22)12-24-18-19-7-8-21(18)11-15-4-3-9-23-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyAURKQAPBWCKUTP-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.87
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide

N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 24891909) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID24891909
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2nccn2Cc2ccco2)c1
InChIInChI=1S/C18H19N3O2S/c1-13-5-6-14(2)16(10-13)20-17(22)12-24-18-19-7-8-21(18)11-15-4-3-9-23-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyAURKQAPBWCKUTP-UHFFFAOYSA-N
XLogP3.87
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)acetamide
CID 16032017
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-furamide
CID 2813253
N-(2-furylmethyl)-2-{[1-(2-methoxyphenyl)-1H-imidazol-2-yl]thio}acetamide
CID 7150930
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-(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
N-(5-{2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-acetylamino}-2-methyl-phenyl)-propionamide
CID 650373
N-(3,4-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 662240
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
2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
CID 1984660

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 24891909) is N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2nccn2Cc2ccco2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is AURKQAPBWCKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-5-6-14(2)16(10-13)20-17(22)12-24-18-19-7-8-21(18)11-15-4-3-9-23-15/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 341.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 24891909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).