N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide

C18H24BrN3OS — CID 36835611

IUPACN-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(C)cc2Br)nc(C)c1C
InChIInChI=1S/C18H24BrN3OS/c1-5-6-9-22-14(4)13(3)20-18(22)24-11-17(23)21-16-8-7-12(2)10-15(16)19/h7-8,10H,5-6,9,11H2,1-4H3,(H,21,23)
InChIKeyAXEOXHMZCUYPOO-UHFFFAOYSA-N
MW410.38 g/mol
LogP5.10
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide

N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide (PubChem CID 36835611) has the molecular formula C18H24BrN3OS and a molecular weight of 410.38 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
PubChem CID36835611
Molecular FormulaC18H24BrN3OS
Molecular Weight410.38 g/mol
Exact Mass409.08
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(C)cc2Br)nc(C)c1C
InChIInChI=1S/C18H24BrN3OS/c1-5-6-9-22-14(4)13(3)20-18(22)24-11-17(23)21-16-8-7-12(2)10-15(16)19/h7-8,10H,5-6,9,11H2,1-4H3,(H,21,23)
InChIKeyAXEOXHMZCUYPOO-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 46510892
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 22831107
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 18278347
N-(2-bromo-4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 29154593
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31038790
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 18146970
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46540785
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 25042714
N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide
CID 31038895
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 18269767
N-(2-bromo-4-methylphenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1136140

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide (CID 36835611) is N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide is CCCCn1c(SCC(=O)Nc2ccc(C)cc2Br)nc(C)c1C.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The InChIKey is AXEOXHMZCUYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3OS/c1-5-6-9-22-14(4)13(3)20-18(22)24-11-17(23)21-16-8-7-12(2)10-15(16)19/h7-8,10H,5-6,9,11H2,1-4H3,(H,21,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide has a molecular weight of 410.38 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 36835611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).