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

C24H21FN2O4S — CID 16936051

IUPACN-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H21FN2O4S/c1-2-31-19-11-9-18(10-12-19)26-24(28)16-27-15-23(21-5-3-4-6-22(21)27)32(29,30)20-13-7-17(25)8-14-20/h3-15H,2,16H2,1H3,(H,26,28)
InChIKeyBZQNNQFAEQNGBB-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.65
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16936051) has the molecular formula C24H21FN2O4S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID16936051
Molecular FormulaC24H21FN2O4S
Molecular Weight452.51 g/mol
Exact Mass452.12
IUPAC NameN-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H21FN2O4S/c1-2-31-19-11-9-18(10-12-19)26-24(28)16-27-15-23(21-5-3-4-6-22(21)27)32(29,30)20-13-7-17(25)8-14-20/h3-15H,2,16H2,1H3,(H,26,28)
InChIKeyBZQNNQFAEQNGBB-UHFFFAOYSA-N
XLogP4.65
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16825265
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18559888
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-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[3-(benzenesulfonyl)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959
2-[3-(4-fluorophenyl)sulfonylindol-1-yl]-N,N-dimethylacetamide
CID 16935905
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (CID 16936051) is N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is CCOc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is BZQNNQFAEQNGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4S/c1-2-31-19-11-9-18(10-12-19)26-24(28)16-27-15-23(21-5-3-4-6-22(21)27)32(29,30)20-13-7-17(25)8-14-20/h3-15H,2,16H2,1H3,(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 452.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16936051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).