2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide

C21H15F2N3O4S — CID 24636548

IUPAC2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H15F2N3O4S/c22-18-10-9-17(11-19(18)23)31(28,29)26-16-7-5-15(6-8-16)25-21(27)13-30-20-4-2-1-3-14(20)12-24/h1-11,26H,13H2,(H,25,27)
InChIKeyQYRPQEPBXUZKHO-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.65
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide

2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 24636548) has the molecular formula C21H15F2N3O4S and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID24636548
Molecular FormulaC21H15F2N3O4S
Molecular Weight443.43 g/mol
Exact Mass443.08
IUPAC Name2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H15F2N3O4S/c22-18-10-9-17(11-19(18)23)31(28,29)26-16-7-5-15(6-8-16)25-21(27)13-30-20-4-2-1-3-14(20)12-24/h1-11,26H,13H2,(H,25,27)
InChIKeyQYRPQEPBXUZKHO-UHFFFAOYSA-N
XLogP3.65
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
2-(2-cyanophenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18231496
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-(4-fluorophenyl)acetamide
CID 51549535
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796591
2-(2-cyanophenoxy)-N-(3-iodophenyl)acetamide
CID 2565297
2-(2-cyanophenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 8874271
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
3,4-difluoro-N-[4-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 25335648
3-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 78779251
2-(2-fluorophenoxy)-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 9219508
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide (CID 24636548) is 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide is N#Cc1ccccc1OCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is QYRPQEPBXUZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O4S/c22-18-10-9-17(11-19(18)23)31(28,29)26-16-7-5-15(6-8-16)25-21(27)13-30-20-4-2-1-3-14(20)12-24/h1-11,26H,13H2,(H,25,27).
What are the key properties of 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide?
2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 24636548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).