2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide

C16H14N2O2S — CID 64690239

IUPAC2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)S(=O)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-12(21(20)14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h2-10,12H,1H3,(H,18,19)
InChIKeySYQGBQIHDQFYSI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.69
Rot. Bonds4

About 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide

2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide (PubChem CID 64690239) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
PubChem CID64690239
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)S(=O)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-12(21(20)14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h2-10,12H,1H3,(H,18,19)
InChIKeySYQGBQIHDQFYSI-UHFFFAOYSA-N
XLogP2.69
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
CID 2501567
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
N-(2-cyanophenyl)-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395538
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide?
The IUPAC name of 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide (CID 64690239) is 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide is CC(C(=O)Nc1ccccc1C#N)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide?
The InChIKey is SYQGBQIHDQFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12(21(20)14-8-3-2-4-9-14)16(19)18-15-10-6-5-7-13(15)11-17/h2-10,12H,1H3,(H,18,19).
What are the key properties of 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide?
2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide has a molecular weight of 298.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 64690239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).