(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide

C17H16N2O2S — CID 2505724

IUPAC(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N
InChIInChI=1S/C17H16N2O2S/c1-12(21-15-9-5-3-7-13(15)11-18)17(20)19-14-8-4-6-10-16(14)22-2/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyORYNRZTWSXRQRN-GFCCVEGCSA-N
MW312.39 g/mol
LogP3.69
Rot. Bonds5

About (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide

(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 2505724) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID2505724
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N
InChIInChI=1S/C17H16N2O2S/c1-12(21-15-9-5-3-7-13(15)11-18)17(20)19-14-8-4-6-10-16(14)22-2/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyORYNRZTWSXRQRN-GFCCVEGCSA-N
XLogP3.69
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
(2R)-N-(2-cyanophenyl)-2-(2-fluorophenoxy)propanamide
CID 7894228
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 60528472
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide (CID 2505724) is (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C#N.
What is the InChIKey of (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is ORYNRZTWSXRQRN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12(21-15-9-5-3-7-13(15)11-18)17(20)19-14-8-4-6-10-16(14)22-2/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide?
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 2505724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).