2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide

C24H24N4O6S2 — CID 71158249

IUPAC2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide
SMILESCOc1ccc2nc(Sc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(N)=O)cc3)c2c1
InChIInChI=1S/C24H24N4O6S2/c1-14-12-26-23(15(2)22(14)33-4)35-24-27-19-10-7-17(32-3)11-20(19)28(24)36(30,31)18-8-5-16(6-9-18)34-13-21(25)29/h5-12H,13H2,1-4H3,(H2,25,29)
InChIKeySFUKHYAWJAYCSC-UHFFFAOYSA-N
MW528.61 g/mol
LogP3.32
Rot. Bonds9

About 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide

2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide (PubChem CID 71158249) has the molecular formula C24H24N4O6S2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide
PubChem CID71158249
Molecular FormulaC24H24N4O6S2
Molecular Weight528.61 g/mol
Exact Mass528.11
IUPAC Name2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide
SMILESCOc1ccc2nc(Sc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(N)=O)cc3)c2c1
InChIInChI=1S/C24H24N4O6S2/c1-14-12-26-23(15(2)22(14)33-4)35-24-27-19-10-7-17(32-3)11-20(19)28(24)36(30,31)18-8-5-16(6-9-18)34-13-21(25)29/h5-12H,13H2,1-4H3,(H2,25,29)
InChIKeySFUKHYAWJAYCSC-UHFFFAOYSA-N
XLogP3.32
TPSA135.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?
The IUPAC name of 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide (CID 71158249) is 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide.
What is the SMILES notation for 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?
The canonical SMILES for 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide is COc1ccc2nc(Sc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(OCC(N)=O)cc3)c2c1.
What is the InChIKey of 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?
The InChIKey is SFUKHYAWJAYCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S2/c1-14-12-26-23(15(2)22(14)33-4)35-24-27-19-10-7-17(32-3)11-20(19)28(24)36(30,31)18-8-5-16(6-9-18)34-13-21(25)29/h5-12H,13H2,1-4H3,(H2,25,29).
What are the key properties of 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide?
2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide has a molecular weight of 528.61 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)sulfanyl]benzimidazol-1-yl]sulfonylphenoxy]acetamide is sourced from PubChem (CID 71158249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).