N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide

C23H21N3O4S — CID 122189465

IUPACN-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESN#Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S/c24-16-19-8-4-5-9-22(19)26-23(27)17-30-20-10-12-21(13-11-20)31(28,29)25-15-14-18-6-2-1-3-7-18/h1-13,25H,14-15,17H2,(H,26,27)
InChIKeyOBYQJDBLXIBZCB-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.10
Rot. Bonds9

About N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide

N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 122189465) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID122189465
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESN#Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S/c24-16-19-8-4-5-9-22(19)26-23(27)17-30-20-10-12-21(13-11-20)31(28,29)25-15-14-18-6-2-1-3-7-18/h1-13,25H,14-15,17H2,(H,26,27)
InChIKeyOBYQJDBLXIBZCB-UHFFFAOYSA-N
XLogP3.10
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
[2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2559727
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
N-(2,6-dichlorophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126122414
3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
CID 17225888
N-(2-methylpropyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126119881
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126117629
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (CID 122189465) is N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is N#Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is OBYQJDBLXIBZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c24-16-19-8-4-5-9-22(19)26-23(27)17-30-20-10-12-21(13-11-20)31(28,29)25-15-14-18-6-2-1-3-7-18/h1-13,25H,14-15,17H2,(H,26,27).
What are the key properties of N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 435.51 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 122189465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).