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

C18H19N3O2S — CID 24891927

IUPACN-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn2Cc2ccco2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-13-5-6-16(14(2)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)
InChIKeyIAKJTJIAZHBLBH-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.87
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 24891927) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID24891927
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nccn2Cc2ccco2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-13-5-6-16(14(2)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)
InChIKeyIAKJTJIAZHBLBH-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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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 24891927) is N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nccn2Cc2ccco2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is IAKJTJIAZHBLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-5-6-16(14(2)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-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
N-(2,4-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-(2,4-dimethylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 24891927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).