2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide

C16H20N4O2S — CID 40665507

IUPAC2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nccn1-c1cccc(C)c1
InChIInChI=1S/C16H20N4O2S/c1-3-7-17-15(22)19-14(21)11-23-16-18-8-9-20(16)13-6-4-5-12(2)10-13/h4-6,8-10H,3,7,11H2,1-2H3,(H2,17,19,21,22)
InChIKeyHNSSUQUWULEZCZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.51
Rot. Bonds6

About 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide

2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide (PubChem CID 40665507) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
PubChem CID40665507
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nccn1-c1cccc(C)c1
InChIInChI=1S/C16H20N4O2S/c1-3-7-17-15(22)19-14(21)11-23-16-18-8-9-20(16)13-6-4-5-12(2)10-13/h4-6,8-10H,3,7,11H2,1-2H3,(H2,17,19,21,22)
InChIKeyHNSSUQUWULEZCZ-UHFFFAOYSA-N
XLogP2.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40670318
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 40568479
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30801985
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40665339
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide
CID 30803081
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40665623
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25406211
N-(1-cyanocyclohexyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17398131
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30828916

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide (CID 40665507) is 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nccn1-c1cccc(C)c1.
What is the InChIKey of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
The InChIKey is HNSSUQUWULEZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-7-17-15(22)19-14(21)11-23-16-18-8-9-20(16)13-6-4-5-12(2)10-13/h4-6,8-10H,3,7,11H2,1-2H3,(H2,17,19,21,22).
What are the key properties of 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide?
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 40665507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).