4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

C17H16N2O3S — CID 26468106

IUPAC4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-12(14-7-9-16(10-8-14)23(2,21)22)19-17(20)15-5-3-13(11-18)4-6-15/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyOYUXZHYXCFLNIY-GFCCVEGCSA-N
MW328.39 g/mol
LogP2.45
Rot. Bonds4

About 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 26468106) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID26468106
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H16N2O3S/c1-12(14-7-9-16(10-8-14)23(2,21)22)19-17(20)15-5-3-13(11-18)4-6-15/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyOYUXZHYXCFLNIY-GFCCVEGCSA-N
XLogP2.45
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
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N-[1-(4-cyanophenyl)ethyl]-3-hydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 26468106) is 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is OYUXZHYXCFLNIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12(14-7-9-16(10-8-14)23(2,21)22)19-17(20)15-5-3-13(11-18)4-6-15/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 26468106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).