2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide

C24H22N4O3S2 — CID 46806459

IUPAC2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C24H22N4O3S2/c1-17-10-12-20(13-11-17)28-22(18-6-3-2-4-7-18)15-26-24(28)32-16-23(29)27-19-8-5-9-21(14-19)33(25,30)31/h2-15H,16H2,1H3,(H,27,29)(H2,25,30,31)
InChIKeyMAMKZYUSTYNHKK-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.23
Rot. Bonds7

About 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 46806459) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID46806459
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C24H22N4O3S2/c1-17-10-12-20(13-11-17)28-22(18-6-3-2-4-7-18)15-26-24(28)32-16-23(29)27-19-8-5-9-21(14-19)33(25,30)31/h2-15H,16H2,1H3,(H,27,29)(H2,25,30,31)
InChIKeyMAMKZYUSTYNHKK-UHFFFAOYSA-N
XLogP4.23
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 46806484
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 43026666
N-(3-bromophenyl)-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4257607
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 55752458
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide
CID 9465156
2-(1-acetyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 1206487
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
N-[3-(diethylsulfamoyl)phenyl]-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 71905030
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 55317415
2-[(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4025974
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1156974

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 46806459) is 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide is Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is MAMKZYUSTYNHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-17-10-12-20(13-11-17)28-22(18-6-3-2-4-7-18)15-26-24(28)32-16-23(29)27-19-8-5-9-21(14-19)33(25,30)31/h2-15H,16H2,1H3,(H,27,29)(H2,25,30,31).
What are the key properties of 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 478.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 46806459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).