2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide

C23H23FN2O6S — CID 26698644

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H23FN2O6S/c1-30-20-13-18(14-21(31-2)23(20)32-3)25-22(27)12-15-4-8-17(9-5-15)26-33(28,29)19-10-6-16(24)7-11-19/h4-11,13-14,26H,12H2,1-3H3,(H,25,27)
InChIKeyMNFKPEHKHSONIX-UHFFFAOYSA-N
MW474.51 g/mol
LogP3.83
Rot. Bonds9

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 26698644) has the molecular formula C23H23FN2O6S and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID26698644
Molecular FormulaC23H23FN2O6S
Molecular Weight474.51 g/mol
Exact Mass474.13
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H23FN2O6S/c1-30-20-13-18(14-21(31-2)23(20)32-3)25-22(27)12-15-4-8-17(9-5-15)26-33(28,29)19-10-6-16(24)7-11-19/h4-11,13-14,26H,12H2,1-3H3,(H,25,27)
InChIKeyMNFKPEHKHSONIX-UHFFFAOYSA-N
XLogP3.83
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55864978
N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 35742588
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3-nitrophenyl)acetamide
CID 26561646
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 26698644) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MNFKPEHKHSONIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O6S/c1-30-20-13-18(14-21(31-2)23(20)32-3)25-22(27)12-15-4-8-17(9-5-15)26-33(28,29)19-10-6-16(24)7-11-19/h4-11,13-14,26H,12H2,1-3H3,(H,25,27).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 474.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 26698644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).