N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

C24H23N3O4S — CID 5308483

IUPACN-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H23N3O4S/c1-29-18-10-8-16(9-11-18)22-24(32-15-21(28)25-14-20-7-4-12-31-20)27-23(26-22)17-5-3-6-19(13-17)30-2/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNYLLJJJIWQOELJ-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.76
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (PubChem CID 5308483) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
PubChem CID5308483
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C24H23N3O4S/c1-29-18-10-8-16(9-11-18)22-24(32-15-21(28)25-14-20-7-4-12-31-20)27-23(26-22)17-5-3-6-19(13-17)30-2/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyNYLLJJJIWQOELJ-UHFFFAOYSA-N
XLogP4.76
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide (CID 5308483) is N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
The InChIKey is NYLLJJJIWQOELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-29-18-10-8-16(9-11-18)22-24(32-15-21(28)25-14-20-7-4-12-31-20)27-23(26-22)17-5-3-6-19(13-17)30-2/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide has a molecular weight of 449.53 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]acetamide is sourced from PubChem (CID 5308483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).