N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide

C21H21N3O3S — CID 7150946

IUPACN-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-4-9-19(27-3)18(12-14)24-11-10-22-21(24)28-13-20(26)23-17-7-5-16(6-8-17)15(2)25/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyXEVOAMINVVAABX-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.12
Rot. Bonds7

About N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150946) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150946
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(C)cc1-n1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-4-9-19(27-3)18(12-14)24-11-10-22-21(24)28-13-20(26)23-17-7-5-16(6-8-17)15(2)25/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyXEVOAMINVVAABX-UHFFFAOYSA-N
XLogP4.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2609128
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
N-(4-acetylphenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585532
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
1-[4-[3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 24579831
N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 30366047
N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 42253982
2-[4-(2-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7386575
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 22585512
N-(4-acetylphenyl)-2-[[5-[1-(2,4-dimethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19643653

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150946) is N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(C)cc1-n1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is XEVOAMINVVAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-4-9-19(27-3)18(12-14)24-11-10-22-21(24)28-13-20(26)23-17-7-5-16(6-8-17)15(2)25/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 395.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).