2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C23H23FN2O4S — CID 2865069

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-21-13-11-20(12-14-21)26(31(28,29)22-5-3-2-4-6-22)17-23(27)25-16-15-18-7-9-19(24)10-8-18/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyYAVSNFMPVSKGOD-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.39
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2865069) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID2865069
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-21-13-11-20(12-14-21)26(31(28,29)22-5-3-2-4-6-22)17-23(27)25-16-15-18-7-9-19(24)10-8-18/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyYAVSNFMPVSKGOD-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 43897803
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2285614
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2897499
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 30205747
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304312
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2278987
N-[3-(4-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226858
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3737355
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3584895
2-(4-fluoro-N-pyridin-3-ylsulfonylanilino)-N-(2-phenylethyl)acetamide
CID 42111358

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 2865069) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide is COc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is YAVSNFMPVSKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-30-21-13-11-20(12-14-21)26(31(28,29)22-5-3-2-4-6-22)17-23(27)25-16-15-18-7-9-19(24)10-8-18/h2-14H,15-17H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 442.51 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2865069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).