N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C21H22N4O2S — CID 30801985

IUPACN-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)NC(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C21H22N4O2S/c1-15-8-9-18(12-16(15)2)25-11-10-22-21(25)28-14-19(26)24-20(27)23-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,26,27)
InChIKeyJUWKSCYGLOUCSZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.61
Rot. Bonds6

About N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 30801985) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID30801985
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(=O)NC(=O)NCc2ccccc2)cc1C
InChIInChI=1S/C21H22N4O2S/c1-15-8-9-18(12-16(15)2)25-11-10-22-21(25)28-14-19(26)24-20(27)23-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,26,27)
InChIKeyJUWKSCYGLOUCSZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
CID 18207204
N-benzyl-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082231
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 30802029
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17470138
N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30802016
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26829244
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25406211

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 30801985) is N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc2SCC(=O)NC(=O)NCc2ccccc2)cc1C.
What is the InChIKey of N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is JUWKSCYGLOUCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-8-9-18(12-16(15)2)25-11-10-22-21(25)28-14-19(26)24-20(27)23-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,26,27).
What are the key properties of N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 394.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 30801985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).