2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

C18H19N3O4S — CID 55597385

IUPAC2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H19N3O4S/c1-13(25-17-7-5-4-6-14(17)12-19)18(22)20-15-8-10-16(11-9-15)26(23,24)21(2)3/h4-11,13H,1-3H3,(H,20,22)
InChIKeyYDPMETRDBOBQQB-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.21
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide

2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 55597385) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID55597385
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H19N3O4S/c1-13(25-17-7-5-4-6-14(17)12-19)18(22)20-15-8-10-16(11-9-15)26(23,24)21(2)3/h4-11,13H,1-3H3,(H,20,22)
InChIKeyYDPMETRDBOBQQB-UHFFFAOYSA-N
XLogP2.21
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 51915891
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 4157932
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 84603772
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 42427236
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 4943258
2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 46597519

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide (CID 55597385) is 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is CC(Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is YDPMETRDBOBQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-13(25-17-7-5-4-6-14(17)12-19)18(22)20-15-8-10-16(11-9-15)26(23,24)21(2)3/h4-11,13H,1-3H3,(H,20,22).
What are the key properties of 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide?
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 373.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55597385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).