N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

C24H20FN3O4S — CID 16936113

IUPACN-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H20FN3O4S/c1-16(29)26-18-8-10-19(11-9-18)27-24(30)15-28-14-23(21-4-2-3-5-22(21)28)33(31,32)20-12-6-17(25)7-13-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyGWLSNWIRFARLFK-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.21
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16936113) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID16936113
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC NameN-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H20FN3O4S/c1-16(29)26-18-8-10-19(11-9-18)27-24(30)15-28-14-23(21-4-2-3-5-22(21)28)33(31,32)20-12-6-17(25)7-13-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyGWLSNWIRFARLFK-UHFFFAOYSA-N
XLogP4.21
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959
N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136964
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N-cycloheptyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935986
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (CID 16936113) is N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is GWLSNWIRFARLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-16(29)26-18-8-10-19(11-9-18)27-24(30)15-28-14-23(21-4-2-3-5-22(21)28)33(31,32)20-12-6-17(25)7-13-20/h2-14H,15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 465.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16936113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).