N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C23H27N3O5S — CID 3190597

IUPACN-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C23H27N3O5S/c1-28-12-11-26-20(16-5-7-17(29-2)8-6-16)14-24-23(26)32-15-22(27)25-19-10-9-18(30-3)13-21(19)31-4/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,27)
InChIKeyDWQNLWBDTQILKE-UHFFFAOYSA-N
MW457.55 g/mol
LogP3.95
Rot. Bonds11

About N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3190597) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3190597
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C23H27N3O5S/c1-28-12-11-26-20(16-5-7-17(29-2)8-6-16)14-24-23(26)32-15-22(27)25-19-10-9-18(30-3)13-21(19)31-4/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,27)
InChIKeyDWQNLWBDTQILKE-UHFFFAOYSA-N
XLogP3.95
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 7150960
1-(2-Methyl-6-{3-[4-(3,4,5-trimethoxy-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10413994
2-(4-Dodecyl-imidazol-1-yl)-2-phenyl-N-(2,4,6-trimethoxy-phenyl)-acetamide
CID 10697612
2-(2-{[(3-Methoxyphenyl)methyl]sulfanyl}-3H-imidazo[4,5-C]pyridin-3-YL)-N-(2,3,4-trimethoxyphenyl)acetamide
CID 16011818
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
CID 2999978
N-(2,3-Dimethyl-phenyl)-2-[1-(2-methoxy-ethyl)-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 3190595
N-(2,4-dimethoxyphenyl)-2-{[5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 3245313
4-(4-Ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole
CID 4110825
N-(2,4-dimethoxyphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4607188
2-{[1-(2-Methoxyphenyl)-1H-imidazol-2-YL]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7150934
N-cyclopentyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150953
N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150955

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 3190597) is N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is DWQNLWBDTQILKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-28-12-11-26-20(16-5-7-17(29-2)8-6-16)14-24-23(26)32-15-22(27)25-19-10-9-18(30-3)13-21(19)31-4/h5-10,13-14H,11-12,15H2,1-4H3,(H,25,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 457.55 g/mol, XLogP of 3.95, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3190597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).