(2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide

C14H18N2O3S — CID 97340860

IUPAC(2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide
SMILESCCS(=O)(=O)CCNC(=O)[C@H](CC#N)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-2-20(18,19)11-10-16-14(17)13(8-9-15)12-6-4-3-5-7-12/h3-7,13H,2,8,10-11H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKZYYBCQGKCJKHL-CYBMUJFWSA-N
MW294.38 g/mol
LogP1.23
Rot. Bonds7

About (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide

(2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide (PubChem CID 97340860) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide
PubChem CID97340860
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide
SMILESCCS(=O)(=O)CCNC(=O)[C@H](CC#N)c1ccccc1
InChIInChI=1S/C14H18N2O3S/c1-2-20(18,19)11-10-16-14(17)13(8-9-15)12-6-4-3-5-7-12/h3-7,13H,2,8,10-11H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKZYYBCQGKCJKHL-CYBMUJFWSA-N
XLogP1.23
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121
benzhydryl (2R)-3-cyano-2-phenylpropanoate
CID 166439913
N-(cyanomethyl)-4-methyl-2-phenylpentanamide
CID 173145638
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593
N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
CID 107168333
4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile
CID 75448606
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-(2-cyanoethylsulfonyl)-N-(1-phenylethyl)acetamide
CID 82181529

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide?
The IUPAC name of (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide (CID 97340860) is (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide.
What is the SMILES notation for (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide?
The canonical SMILES for (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide is CCS(=O)(=O)CCNC(=O)[C@H](CC#N)c1ccccc1.
What is the InChIKey of (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide?
The InChIKey is KZYYBCQGKCJKHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-20(18,19)11-10-16-14(17)13(8-9-15)12-6-4-3-5-7-12/h3-7,13H,2,8,10-11H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide?
(2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide has a molecular weight of 294.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyano-N-(2-ethylsulfonylethyl)-2-phenylpropanamide is sourced from PubChem (CID 97340860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).