N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide

C26H24N4O4S — CID 46347549

IUPACN-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-17(31)18-7-9-19(10-8-18)27-24(32)15-30-23-6-4-3-5-22(23)29-26(30)35-16-25(33)28-20-11-13-21(34-2)14-12-20/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyJOQXBMUPKWIWMK-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.62
Rot. Bonds9

About N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide

N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide (PubChem CID 46347549) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
PubChem CID46347549
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC NameN-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C26H24N4O4S/c1-17(31)18-7-9-19(10-8-18)27-24(32)15-30-23-6-4-3-5-22(23)29-26(30)35-16-25(33)28-20-11-13-21(34-2)14-12-20/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyJOQXBMUPKWIWMK-UHFFFAOYSA-N
XLogP4.62
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347508
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 46347555
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 46731944
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16500021
N-[(4-methoxyphenyl)carbamoyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518067
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
N-(4-acetylphenyl)-3-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 52546540
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 3224836
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide (CID 46347549) is N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide is COc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
The InChIKey is JOQXBMUPKWIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-17(31)18-7-9-19(10-8-18)27-24(32)15-30-23-6-4-3-5-22(23)29-26(30)35-16-25(33)28-20-11-13-21(34-2)14-12-20/h3-14H,15-16H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide?
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide has a molecular weight of 488.57 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide is sourced from PubChem (CID 46347549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).