N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

C23H23FN2O5S — CID 43906348

IUPACN-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H23FN2O5S/c1-16(17-3-5-18(24)6-4-17)25-23(27)15-31-21-11-13-22(14-12-21)32(28,29)26-19-7-9-20(30-2)10-8-19/h3-14,16,26H,15H2,1-2H3,(H,25,27)
InChIKeyLHYJBASXPGNKCS-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.89
Rot. Bonds9

About N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 43906348) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID43906348
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C23H23FN2O5S/c1-16(17-3-5-18(24)6-4-17)25-23(27)15-31-21-11-13-22(14-12-21)32(28,29)26-19-7-9-20(30-2)10-8-19/h3-14,16,26H,15H2,1-2H3,(H,25,27)
InChIKeyLHYJBASXPGNKCS-UHFFFAOYSA-N
XLogP3.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553030
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401976
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401893
N-[1-(4-fluorophenyl)ethyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 43906314
2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28553480
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554170
2-[4-[(3-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554261
N-butan-2-yl-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 4650305
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124551632
N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 28553139
2-[2-chloro-4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402291

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (CID 43906348) is N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC(C)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is LHYJBASXPGNKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c1-16(17-3-5-18(24)6-4-17)25-23(27)15-31-21-11-13-22(14-12-21)32(28,29)26-19-7-9-20(30-2)10-8-19/h3-14,16,26H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 458.51 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 43906348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).