N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C21H22N4O2S — CID 55846055

IUPACN-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)Nc1cc(NC(=O)CSc2nccn2-c2ccccc2C)ccc1C
InChIInChI=1S/C21H22N4O2S/c1-14-8-9-17(12-18(14)23-16(3)26)24-20(27)13-28-21-22-10-11-25(21)19-7-5-4-6-15(19)2/h4-12H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyZHVJIERGEDZVPY-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.18
Rot. Bonds6

About N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 55846055) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID55846055
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCC(=O)Nc1cc(NC(=O)CSc2nccn2-c2ccccc2C)ccc1C
InChIInChI=1S/C21H22N4O2S/c1-14-8-9-17(12-18(14)23-16(3)26)24-20(27)13-28-21-22-10-11-25(21)19-7-5-4-6-15(19)2/h4-12H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyZHVJIERGEDZVPY-UHFFFAOYSA-N
XLogP4.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549840
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
N-(3-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40684960
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 34715637
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41473059
N-(4-acetamido-2-chlorophenyl)-2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 86885181
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870894
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 55846055) is N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is CC(=O)Nc1cc(NC(=O)CSc2nccn2-c2ccccc2C)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is ZHVJIERGEDZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14-8-9-17(12-18(14)23-16(3)26)24-20(27)13-28-21-22-10-11-25(21)19-7-5-4-6-15(19)2/h4-12H,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 394.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 55846055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).