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

C18H19N3O4S — CID 7151124

IUPACN-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccn2Cc2ccco2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-23-13-5-6-15(16(10-13)24-2)20-17(22)12-26-18-19-7-8-21(18)11-14-4-3-9-25-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDUFRLZBYBNJZQC-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.27
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7151124) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7151124
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2nccn2Cc2ccco2)c(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-23-13-5-6-15(16(10-13)24-2)20-17(22)12-26-18-19-7-8-21(18)11-14-4-3-9-25-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyDUFRLZBYBNJZQC-UHFFFAOYSA-N
XLogP3.27
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide (CID 7151124) is N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2nccn2Cc2ccco2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is DUFRLZBYBNJZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-23-13-5-6-15(16(10-13)24-2)20-17(22)12-26-18-19-7-8-21(18)11-14-4-3-9-25-14/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 373.43 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).