N-(2-cyanophenyl)-2-ethylsulfinylpropanamide

C12H14N2O2S — CID 64691502

IUPACN-(2-cyanophenyl)-2-ethylsulfinylpropanamide
SMILESCCS(=O)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H14N2O2S/c1-3-17(16)9(2)12(15)14-11-7-5-4-6-10(11)8-13/h4-7,9H,3H2,1-2H3,(H,14,15)
InChIKeyDEXDHSIIXMWAGF-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.65
Rot. Bonds4

About N-(2-cyanophenyl)-2-ethylsulfinylpropanamide

N-(2-cyanophenyl)-2-ethylsulfinylpropanamide (PubChem CID 64691502) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-ethylsulfinylpropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-ethylsulfinylpropanamide
PubChem CID64691502
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(2-cyanophenyl)-2-ethylsulfinylpropanamide
SMILESCCS(=O)C(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C12H14N2O2S/c1-3-17(16)9(2)12(15)14-11-7-5-4-6-10(11)8-13/h4-7,9H,3H2,1-2H3,(H,14,15)
InChIKeyDEXDHSIIXMWAGF-UHFFFAOYSA-N
XLogP1.65
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
CID 64690239
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
N-(2-aminophenyl)-2-ethylsulfinylpropanamide
CID 61303245
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
1-(2-cyanophenyl)-3-pentan-3-ylurea
CID 108888228
N-(2-cyanophenyl)-2-(cyclopropylmethoxy)propanamide
CID 43188643
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-ethylsulfinylpropanamide?
The IUPAC name of N-(2-cyanophenyl)-2-ethylsulfinylpropanamide (CID 64691502) is N-(2-cyanophenyl)-2-ethylsulfinylpropanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-ethylsulfinylpropanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-ethylsulfinylpropanamide is CCS(=O)C(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-ethylsulfinylpropanamide?
The InChIKey is DEXDHSIIXMWAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-17(16)9(2)12(15)14-11-7-5-4-6-10(11)8-13/h4-7,9H,3H2,1-2H3,(H,14,15).
What are the key properties of N-(2-cyanophenyl)-2-ethylsulfinylpropanamide?
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide has a molecular weight of 250.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-ethylsulfinylpropanamide is sourced from PubChem (CID 64691502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).