N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide

C23H18FN3O5S — CID 3687458

IUPACN-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2c(=O)n(C(=O)Cc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H18FN3O5S/c1-15(28)25-18-10-12-19(13-11-18)33(31,32)27-21-5-3-2-4-20(21)26(23(27)30)22(29)14-16-6-8-17(24)9-7-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyMLAVPEBYKLOLGM-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.02
Rot. Bonds5

About N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide

N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide (PubChem CID 3687458) has the molecular formula C23H18FN3O5S and a molecular weight of 467.48 g/mol. Its IUPAC name is N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide
PubChem CID3687458
Molecular FormulaC23H18FN3O5S
Molecular Weight467.48 g/mol
Exact Mass467.10
IUPAC NameN-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2c(=O)n(C(=O)Cc3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C23H18FN3O5S/c1-15(28)25-18-10-12-19(13-11-18)33(31,32)27-21-5-3-2-4-20(21)26(23(27)30)22(29)14-16-6-8-17(24)9-7-16/h2-13H,14H2,1H3,(H,25,28)
InChIKeyMLAVPEBYKLOLGM-UHFFFAOYSA-N
XLogP3.02
TPSA107.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
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N-[4-[1,3-bis(4-fluorophenyl)propan-2-ylsulfamoyl]phenyl]acetamide
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N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
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1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide (CID 3687458) is N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2c(=O)n(C(=O)Cc3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide?
The InChIKey is MLAVPEBYKLOLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O5S/c1-15(28)25-18-10-12-19(13-11-18)33(31,32)27-21-5-3-2-4-20(21)26(23(27)30)22(29)14-16-6-8-17(24)9-7-16/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide has a molecular weight of 467.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(4-fluorophenyl)acetyl]-2-oxobenzimidazol-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 3687458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).