N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C23H27N3O3S — CID 3190595

IUPACN-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-20(17(16)2)25-22(27)15-30-23-24-14-21(26(23)12-13-28-3)18-8-10-19(29-4)11-9-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,27)
InChIKeyXKWIVRVFHYIAHX-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.55
Rot. Bonds9

About N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3190595) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3190595
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C23H27N3O3S/c1-16-6-5-7-20(17(16)2)25-22(27)15-30-23-24-14-21(26(23)12-13-28-3)18-8-10-19(29-4)11-9-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,27)
InChIKeyXKWIVRVFHYIAHX-UHFFFAOYSA-N
XLogP4.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 1273164
1-(2-Methoxy-ethyl)-5-(4-methoxy-phenyl)-1H-imidazol-2-ylamine
CID 652582
2-[1-(2-Methoxy-ethyl)-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 654066
6-(4-Methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium
CID 911689
5-(4-methoxyphenyl)-7-phenyl-3,7-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium
CID 913304
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
CID 2999978
N-(2,4-Dimethoxy-phenyl)-2-[1-(2-methoxy-ethyl)-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 3190597
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 3491429
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 3691378
N-mesityl-2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 4107284
4-(4-Ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole
CID 4110825
2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-(naphthalen-1-yl)acetamide
CID 4133639

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 3190595) is N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is XKWIVRVFHYIAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-6-5-7-20(17(16)2)25-22(27)15-30-23-24-14-21(26(23)12-13-28-3)18-8-10-19(29-4)11-9-18/h5-11,14H,12-13,15H2,1-4H3,(H,25,27).
What are the key properties of N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 425.55 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3190595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).