2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide

C11H12N2OS — CID 115173017

IUPAC2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(N(C)C(=O)CC#N)cc1
InChIInChI=1S/C11H12N2OS/c1-13(11(14)7-8-12)9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyAMMJQJRWHYYKLN-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.28
Rot. Bonds3

About 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide

2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 115173017) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide
PubChem CID115173017
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(N(C)C(=O)CC#N)cc1
InChIInChI=1S/C11H12N2OS/c1-13(11(14)7-8-12)9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3
InChIKeyAMMJQJRWHYYKLN-UHFFFAOYSA-N
XLogP2.28
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-(4-propylphenyl)acetamide
CID 115172956
4-(N-methyl-4-methylsulfanylanilino)-4-oxobutanoic acid
CID 54320412
3-(4-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79214701
N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 12915123
ethyl N-methyl-N-(4-methylsulfanylphenyl)carbamate
CID 173195288
ethyl 3-(N-methyl-4-methylsulfanylanilino)-3-oxopropanoate
CID 115138514
2-cyano-N-methyl-N-(4-phenylmethoxyphenyl)acetamide
CID 99824506
3-cyano-N-(4-ethylsulfanylphenyl)-N-methylpropanamide
CID 115173680
N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 112726419
2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 115179752
(2R)-2-amino-N-methyl-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119320848
ethyl 4-[N-(cyanomethyl)-4-methylsulfanylanilino]-4-oxobutanoate
CID 19439430

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide (CID 115173017) is 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(N(C)C(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is AMMJQJRWHYYKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-13(11(14)7-8-12)9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 220.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 115173017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).