2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

C19H19N3O2S — CID 4120310

IUPAC2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-3-5-15(6-4-14)21-18(23)13-25-19-20-11-12-22(19)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyQZMAPGJQIXJCPQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.92
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 4120310) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID4120310
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H19N3O2S/c1-14-3-5-15(6-4-14)21-18(23)13-25-19-20-11-12-22(19)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyQZMAPGJQIXJCPQ-UHFFFAOYSA-N
XLogP3.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119542
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 40649289
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
N-(3,5-dimethylphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4184858
2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
CID 41434287
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 55327177
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46826238
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 40518450
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3683998

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 4120310) is 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is QZMAPGJQIXJCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-3-5-15(6-4-14)21-18(23)13-25-19-20-11-12-22(19)16-7-9-17(24-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4120310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).