2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide

C20H21N3O3S2 — CID 26829244

IUPAC2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1C
InChIInChI=1S/C20H21N3O3S2/c1-14-7-8-17(11-15(14)2)23-10-9-21-20(23)27-13-19(24)22-16-5-4-6-18(12-16)28(3,25)26/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyUIEPPXMPDZAZJD-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.62
Rot. Bonds6

About 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 26829244) has the molecular formula C20H21N3O3S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
PubChem CID26829244
Molecular FormulaC20H21N3O3S2
Molecular Weight415.54 g/mol
Exact Mass415.10
IUPAC Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1C
InChIInChI=1S/C20H21N3O3S2/c1-14-7-8-17(11-15(14)2)23-10-9-21-20(23)27-13-19(24)22-16-5-4-6-18(12-16)28(3,25)26/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyUIEPPXMPDZAZJD-UHFFFAOYSA-N
XLogP3.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86972032
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17470138
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30828916
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 4055089
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 18271572
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide (CID 26829244) is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide is Cc1ccc(-n2ccnc2SCC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is UIEPPXMPDZAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S2/c1-14-7-8-17(11-15(14)2)23-10-9-21-20(23)27-13-19(24)22-16-5-4-6-18(12-16)28(3,25)26/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 26829244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).