(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide

C17H16N2O4S — CID 9072191

IUPAC(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H16N2O4S/c1-12(23-15-8-6-13(11-18)7-9-15)17(20)19-14-4-3-5-16(10-14)24(2,21)22/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyVHCDTZXPAHCLBZ-GFCCVEGCSA-N
MW344.39 g/mol
LogP2.37
Rot. Bonds5

About (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide

(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide (PubChem CID 9072191) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
PubChem CID9072191
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C17H16N2O4S/c1-12(23-15-8-6-13(11-18)7-9-15)17(20)19-14-4-3-5-16(10-14)24(2,21)22/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyVHCDTZXPAHCLBZ-GFCCVEGCSA-N
XLogP2.37
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.37
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
(2S)-N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 9108000
(2S)-2-(4-cyanophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414961
2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546882
2-(4-cyanophenoxy)-N-(3-iodophenyl)propanamide
CID 78675814
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
2-(4-cyanophenoxy)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 110877125
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 24649964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide (CID 9072191) is (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide?
The InChIKey is VHCDTZXPAHCLBZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12(23-15-8-6-13(11-18)7-9-15)17(20)19-14-4-3-5-16(10-14)24(2,21)22/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide?
(2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide has a molecular weight of 344.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyanophenoxy)-N-(3-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 9072191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).