2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide

C24H18N4O3S2 — CID 2474153

IUPAC2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H18N4O3S2/c25-15-17-8-7-11-19(14-17)26-21(29)16-32-23-24(33(30,31)20-12-5-2-6-13-20)28-22(27-23)18-9-3-1-4-10-18/h1-14H,16H2,(H,26,29)(H,27,28)
InChIKeyXGPBYHIQLAYPIW-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.51
Rot. Bonds7

About 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide

2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide (PubChem CID 2474153) has the molecular formula C24H18N4O3S2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide
PubChem CID2474153
Molecular FormulaC24H18N4O3S2
Molecular Weight474.57 g/mol
Exact Mass474.08
IUPAC Name2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H18N4O3S2/c25-15-17-8-7-11-19(14-17)26-21(29)16-32-23-24(33(30,31)20-12-5-2-6-13-20)28-22(27-23)18-9-3-1-4-10-18/h1-14H,16H2,(H,26,29)(H,27,28)
InChIKeyXGPBYHIQLAYPIW-UHFFFAOYSA-N
XLogP4.51
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanyl-N-(3-cyanophenyl)acetamide
CID 23790391
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 20896139
N-(3-cyanophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4799463
N-(3-cyanophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2488093
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 33227721
N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4798917
N-[3-(benzenesulfonyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 134433594
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
2-(3-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 62646994
N-(3-cyanophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2507447

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide (CID 2474153) is 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide?
The InChIKey is XGPBYHIQLAYPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S2/c25-15-17-8-7-11-19(14-17)26-21(29)16-32-23-24(33(30,31)20-12-5-2-6-13-20)28-22(27-23)18-9-3-1-4-10-18/h1-14H,16H2,(H,26,29)(H,27,28).
What are the key properties of 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide?
2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide has a molecular weight of 474.57 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzenesulfonyl)-2-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 2474153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).