N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C25H20N4OS2 — CID 30052776

IUPACN-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESN#CCSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H20N4OS2/c26-15-16-31-21-14-8-7-13-20(21)27-22(30)17-32-25-28-23(18-9-3-1-4-10-18)24(29-25)19-11-5-2-6-12-19/h1-14H,16-17H2,(H,27,30)(H,28,29)
InChIKeyHQBHMPSZWCGKMO-UHFFFAOYSA-N
MW456.60 g/mol
LogP6.09
Rot. Bonds8

About N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 30052776) has the molecular formula C25H20N4OS2 and a molecular weight of 456.60 g/mol. Its IUPAC name is N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID30052776
Molecular FormulaC25H20N4OS2
Molecular Weight456.60 g/mol
Exact Mass456.11
IUPAC NameN-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESN#CCSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H20N4OS2/c26-15-16-31-21-14-8-7-13-20(21)27-22(30)17-32-25-28-23(18-9-3-1-4-10-18)24(29-25)19-11-5-2-6-12-19/h1-14H,16-17H2,(H,27,30)(H,28,29)
InChIKeyHQBHMPSZWCGKMO-UHFFFAOYSA-N
XLogP6.09
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 39757430
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
methyl 2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 39922393
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 9144056
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
N-(2,6-diethylphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 39759791
N-[2-(cyanomethylsulfanyl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7484459
N-(2-chlorophenyl)-2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552446
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 7704690
N-(cyanomethyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 112783040
2-[[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2532162
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2478928

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 30052776) is N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is N#CCSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is HQBHMPSZWCGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS2/c26-15-16-31-21-14-8-7-13-20(21)27-22(30)17-32-25-28-23(18-9-3-1-4-10-18)24(29-25)19-11-5-2-6-12-19/h1-14H,16-17H2,(H,27,30)(H,28,29).
What are the key properties of N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 456.60 g/mol, XLogP of 6.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 30052776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).