2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

C22H26N4O4S — CID 55399523

IUPAC2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOCCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C22H26N4O4S/c1-25(14-20(27)23-16-7-6-8-17(13-16)30-3)21(28)15-31-22-24-18-9-4-5-10-19(18)26(22)11-12-29-2/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,27)
InChIKeyAGAJMDGWHSOXQB-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.88
Rot. Bonds10

About 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 55399523) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID55399523
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOCCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C22H26N4O4S/c1-25(14-20(27)23-16-7-6-8-17(13-16)30-3)21(28)15-31-22-24-18-9-4-5-10-19(18)26(22)11-12-29-2/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,27)
InChIKeyAGAJMDGWHSOXQB-UHFFFAOYSA-N
XLogP2.88
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide
CID 8002588
N-[3-(dimethylsulfamoyl)phenyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505860
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27786943
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
N-(3-methoxyphenyl)-2-[methyl-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
CID 34773169
N-benzhydryl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 42966797
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754
N-(3-methoxyphenyl)-2-[methyl-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetamide
CID 35114834
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9011910
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide (CID 55399523) is 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is COCCn1c(SCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is AGAJMDGWHSOXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-25(14-20(27)23-16-7-6-8-17(13-16)30-3)21(28)15-31-22-24-18-9-4-5-10-19(18)26(22)11-12-29-2/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,27).
What are the key properties of 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 55399523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).