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

C24H23N3O4S — CID 20851988

IUPAC2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(OC)cc3)[nH]2)cc1
InChIInChI=1S/C24H23N3O4S/c1-29-18-9-5-16(6-10-18)22-24(32-15-21(28)25-14-20-4-3-13-31-20)27-23(26-22)17-7-11-19(30-2)12-8-17/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCFRIRIWDZIJKGA-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.76
Rot. Bonds9

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

2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 20851988) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID20851988
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(OC)cc3)[nH]2)cc1
InChIInChI=1S/C24H23N3O4S/c1-29-18-9-5-16(6-10-18)22-24(32-15-21(28)25-14-20-4-3-13-31-20)27-23(26-22)17-7-11-19(30-2)12-8-17/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyCFRIRIWDZIJKGA-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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Related Compounds

2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851990
2-[[2-(4-bromophenyl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20851975
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 15990329
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 15990304
2-[[5-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 20852101
N-(furan-2-ylmethyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1042089
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20896139
N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557212
N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 9458134
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-[[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 20851998
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 34239440

Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 20851988) is 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(OC)cc3)[nH]2)cc1.
What is the InChIKey of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CFRIRIWDZIJKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-29-18-9-5-16(6-10-18)22-24(32-15-21(28)25-14-20-4-3-13-31-20)27-23(26-22)17-7-11-19(30-2)12-8-17/h3-13H,14-15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)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 2-[[2,5-bis(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 20851988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).