2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C20H20BrN3O2S — CID 41030207

IUPAC2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C20H20BrN3O2S/c1-13(16-5-3-4-6-18(16)26-2)23-19(25)12-27-20-22-11-17(24-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyFYXKMYYVSTWEOZ-CYBMUJFWSA-N
MW446.37 g/mol
LogP4.82
Rot. Bonds7

About 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 41030207) has the molecular formula C20H20BrN3O2S and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID41030207
Molecular FormulaC20H20BrN3O2S
Molecular Weight446.37 g/mol
Exact Mass445.05
IUPAC Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C20H20BrN3O2S/c1-13(16-5-3-4-6-18(16)26-2)23-19(25)12-27-20-22-11-17(24-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)/t13-/m1/s1
InChIKeyFYXKMYYVSTWEOZ-CYBMUJFWSA-N
XLogP4.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40942854
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
CID 17427646
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18191831
2-(4-bromophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144672
N-butan-2-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944884
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 24500653
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 78797335
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 166198972
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 17431308
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 41030207) is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@@H](C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is FYXKMYYVSTWEOZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20BrN3O2S/c1-13(16-5-3-4-6-18(16)26-2)23-19(25)12-27-20-22-11-17(24-20)14-7-9-15(21)10-8-14/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)/t13-/m1/s1.
What are the key properties of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 446.37 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 41030207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).