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

C21H23N3O4S — CID 4607188

IUPACN-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H23N3O4S/c1-4-28-16-7-5-15(6-8-16)24-12-11-22-21(24)29-14-20(25)23-18-10-9-17(26-2)13-19(18)27-3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyYARGHUROAQPNDA-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.02
Rot. Bonds9

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

N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4607188) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4607188
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C21H23N3O4S/c1-4-28-16-7-5-15(6-8-16)24-12-11-22-21(24)29-14-20(25)23-18-10-9-17(26-2)13-19(18)27-3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyYARGHUROAQPNDA-UHFFFAOYSA-N
XLogP4.02
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.02
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-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 4607188) is N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide is CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is YARGHUROAQPNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-4-28-16-7-5-15(6-8-16)24-12-11-22-21(24)29-14-20(25)23-18-10-9-17(26-2)13-19(18)27-3/h5-13H,4,14H2,1-3H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 413.50 g/mol, XLogP of 4.02, 9 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-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4607188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).