N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide

C23H20FN3O4S — CID 100796591

IUPACN-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C23H20FN3O4S/c1-16-14-21(32(29,30)27-20-8-4-18(24)5-9-20)10-11-22(16)31-15-23(28)26-19-6-2-17(3-7-19)12-13-25/h2-11,14,27H,12,15H2,1H3,(H,26,28)
InChIKeyFRYDSPZDLLIKCW-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.02
Rot. Bonds8

About N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide

N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide (PubChem CID 100796591) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
PubChem CID100796591
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C23H20FN3O4S/c1-16-14-21(32(29,30)27-20-8-4-18(24)5-9-20)10-11-22(16)31-15-23(28)26-19-6-2-17(3-7-19)12-13-25/h2-11,14,27H,12,15H2,1H3,(H,26,28)
InChIKeyFRYDSPZDLLIKCW-UHFFFAOYSA-N
XLogP4.02
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]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-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100796723
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
N-[(4-fluorophenyl)methyl]-2-[2-methyl-4-(phenylsulfamoyl)phenoxy]acetamide
CID 28555542
2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800638
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28555605
2-(2-cyanophenoxy)-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]acetamide
CID 24636548
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
N-[5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 37263710
methyl 5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methylbenzoate
CID 95971299
N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 2712532
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388488
2-[4-[(3,5-difluorophenyl)sulfamoyl]-2-methylphenoxy]acetic acid
CID 51127956

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide (CID 100796591) is N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide is Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The InChIKey is FRYDSPZDLLIKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-16-14-21(32(29,30)27-20-8-4-18(24)5-9-20)10-11-22(16)31-15-23(28)26-19-6-2-17(3-7-19)12-13-25/h2-11,14,27H,12,15H2,1H3,(H,26,28).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide has a molecular weight of 453.50 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 100796591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).