N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide

C26H25N3OS — CID 3458291

IUPACN-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C26H25N3OS/c1-18-12-14-22(15-13-18)29-16-24(21-9-5-4-6-10-21)28-26(29)31-17-25(30)27-23-11-7-8-19(2)20(23)3/h4-16H,17H2,1-3H3,(H,27,30)
InChIKeyRXEUNCMQZISVIW-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.20
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide

N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (PubChem CID 3458291) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
PubChem CID3458291
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC NameN-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C26H25N3OS/c1-18-12-14-22(15-13-18)29-16-24(21-9-5-4-6-10-21)28-26(29)31-17-25(30)27-23-11-7-8-19(2)20(23)3/h4-16H,17H2,1-3H3,(H,27,30)
InChIKeyRXEUNCMQZISVIW-UHFFFAOYSA-N
XLogP6.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
2-[1-(5-chloro-2-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 4673985
N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4126512
N-(5-chloro-2-methylphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23961762
N-(2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 995094
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855874
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4558088
2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4121667
N-(2,3-dimethylphenyl)-2-[[6-(4-phenylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 40982019
N-(2,3-dimethylphenyl)-2-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 7531416
N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23909049
N-(2,3-dimethylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135435482

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (CID 3458291) is N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is Cc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The InChIKey is RXEUNCMQZISVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c1-18-12-14-22(15-13-18)29-16-24(21-9-5-4-6-10-21)28-26(29)31-17-25(30)27-23-11-7-8-19(2)20(23)3/h4-16H,17H2,1-3H3,(H,27,30).
What are the key properties of N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 427.57 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3458291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).