2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide

C23H21N3O4S — CID 16546882

IUPAC2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H21N3O4S/c1-17(30-21-13-11-18(16-24)12-14-21)23(27)25-19-7-6-10-22(15-19)31(28,29)26(2)20-8-4-3-5-9-20/h3-15,17H,1-2H3,(H,25,27)
InChIKeyBPMPLLFBXIMNLH-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.79
Rot. Bonds7

About 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide

2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (PubChem CID 16546882) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
PubChem CID16546882
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H21N3O4S/c1-17(30-21-13-11-18(16-24)12-14-21)23(27)25-19-7-6-10-22(15-19)31(28,29)26(2)20-8-4-3-5-9-20/h3-15,17H,1-2H3,(H,25,27)
InChIKeyBPMPLLFBXIMNLH-UHFFFAOYSA-N
XLogP3.79
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
CID 9072191
2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546883
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
CID 4782661
(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 9108000
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2S)-2-(4-cyanophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414961
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061
N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 18170408
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018615
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (CID 16546882) is 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is BPMPLLFBXIMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-17(30-21-13-11-18(16-24)12-14-21)23(27)25-19-7-6-10-22(15-19)31(28,29)26(2)20-8-4-3-5-9-20/h3-15,17H,1-2H3,(H,25,27).
What are the key properties of 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 435.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 16546882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).