2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide

C24H24N4O3S — CID 46347575

IUPAC2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)NCc2ccco2)cc1C
InChIInChI=1S/C24H24N4O3S/c1-16-9-10-18(12-17(16)2)26-23(30)15-32-24-27-20-7-3-4-8-21(20)28(24)14-22(29)25-13-19-6-5-11-31-19/h3-12H,13-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUYQMYEFNITVXST-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.29
Rot. Bonds8

About 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 46347575) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID46347575
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)NCc2ccco2)cc1C
InChIInChI=1S/C24H24N4O3S/c1-16-9-10-18(12-17(16)2)26-23(30)15-32-24-27-20-7-3-4-8-21(20)28(24)14-22(29)25-13-19-6-5-11-31-19/h3-12H,13-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyUYQMYEFNITVXST-UHFFFAOYSA-N
XLogP4.29
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596
N-(3,4-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1143671
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 53489643
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
N-(furan-2-ylmethylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 7251108
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17030952
N-(3,5-dimethoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347508
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
N-(3-chloro-4-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 40926754

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 46347575) is 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ccccc3n2CC(=O)NCc2ccco2)cc1C.
What is the InChIKey of 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is UYQMYEFNITVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-16-9-10-18(12-17(16)2)26-23(30)15-32-24-27-20-7-3-4-8-21(20)28(24)14-22(29)25-13-19-6-5-11-31-19/h3-12H,13-15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 448.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 46347575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).