N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide

C21H21N3O3S — CID 30366047

IUPACN-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CSc2nccn2-c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-4-5-15(2)18(12-14)24-11-10-22-21(24)28-13-19(25)23-20(26)16-6-8-17(27-3)9-7-16/h4-12H,13H2,1-3H3,(H,23,25,26)
InChIKeyYMSCJRCLJLPKFT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.55
Rot. Bonds6

About N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide

N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide (PubChem CID 30366047) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
PubChem CID30366047
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CSc2nccn2-c2cc(C)ccc2C)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-4-5-15(2)18(12-14)24-11-10-22-21(24)28-13-19(25)23-20(26)16-6-8-17(27-3)9-7-16/h4-12H,13H2,1-3H3,(H,23,25,26)
InChIKeyYMSCJRCLJLPKFT-UHFFFAOYSA-N
XLogP3.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N'-(4-methoxypyrimidin-2-yl)acetohydrazide
CID 55619783
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55510469
4-(difluoromethoxy)-N-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]benzamide
CID 46816704
N'-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-3-carbohydrazide
CID 39754867
4-(difluoromethoxy)-N-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]benzamide
CID 46816872
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
CID 60557721
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150946
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide (CID 30366047) is N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(=O)CSc2nccn2-c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide?
The InChIKey is YMSCJRCLJLPKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-4-5-15(2)18(12-14)24-11-10-22-21(24)28-13-19(25)23-20(26)16-6-8-17(27-3)9-7-16/h4-12H,13H2,1-3H3,(H,23,25,26).
What are the key properties of N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide?
N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide has a molecular weight of 395.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide is sourced from PubChem (CID 30366047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).