N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide

C24H35N5O3S — CID 55640137

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
SMILESCOCCn1c(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nc(C)c1C
InChIInChI=1S/C24H35N5O3S/c1-17-7-6-8-18(2)23(17)26-21(30)15-27-9-11-28(12-10-27)22(31)16-33-24-25-19(3)20(4)29(24)13-14-32-5/h6-8H,9-16H2,1-5H3,(H,26,30)
InChIKeyCLJFZHHQDDFVHU-UHFFFAOYSA-N
MW473.64 g/mol
LogP2.64
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide (PubChem CID 55640137) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
PubChem CID55640137
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
SMILESCOCCn1c(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nc(C)c1C
InChIInChI=1S/C24H35N5O3S/c1-17-7-6-8-18(2)23(17)26-21(30)15-27-9-11-28(12-10-27)22(31)16-33-24-25-19(3)20(4)29(24)13-14-32-5/h6-8H,9-16H2,1-5H3,(H,26,30)
InChIKeyCLJFZHHQDDFVHU-UHFFFAOYSA-N
XLogP2.64
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 27929631
N-(2,6-dimethylphenyl)-2-[4-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 39761968
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 24674862
N-(2,6-dimethylphenyl)-2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 8787509
2-[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 24670764
2-[4-[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 112815732
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate
CID 46492227
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
N-(2,6-dimethylphenyl)-2-[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 31785049

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide (CID 55640137) is N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide is COCCn1c(SCC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nc(C)c1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide?
The InChIKey is CLJFZHHQDDFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-17-7-6-8-18(2)23(17)26-21(30)15-27-9-11-28(12-10-27)22(31)16-33-24-25-19(3)20(4)29(24)13-14-32-5/h6-8H,9-16H2,1-5H3,(H,26,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide has a molecular weight of 473.64 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55640137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).