N-(2-cyanophenyl)-2-methylsulfanylpropanamide

C11H12N2OS — CID 47263046

IUPACN-(2-cyanophenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H12N2OS/c1-8(15-2)11(14)13-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyATRIPICMGJKOSV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.25
Rot. Bonds3

About N-(2-cyanophenyl)-2-methylsulfanylpropanamide

N-(2-cyanophenyl)-2-methylsulfanylpropanamide (PubChem CID 47263046) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methylsulfanylpropanamide
PubChem CID47263046
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(2-cyanophenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H12N2OS/c1-8(15-2)11(14)13-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3,(H,13,14)
InChIKeyATRIPICMGJKOSV-UHFFFAOYSA-N
XLogP2.25
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
CID 2501567
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
(2R)-N-(2-cyanophenyl)-2-cyclohexylsulfanylpropanamide
CID 8705609
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
N-(2-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 17434437
methyl 3-[1-(2-cyanoanilino)-1-oxopropan-2-yl]sulfanylpropanoate
CID 43403838
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 8818665
2-(3-bromophenyl)sulfanyl-N-(2-cyanophenyl)propanamide
CID 62803899
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
CID 64690239
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(2-cyanophenyl)-2-methylsulfanylpropanamide (CID 47263046) is N-(2-cyanophenyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-methylsulfanylpropanamide?
The InChIKey is ATRIPICMGJKOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8(15-2)11(14)13-10-6-4-3-5-9(10)7-12/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of N-(2-cyanophenyl)-2-methylsulfanylpropanamide?
N-(2-cyanophenyl)-2-methylsulfanylpropanamide has a molecular weight of 220.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methylsulfanylpropanamide is sourced from PubChem (CID 47263046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).