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

C10H10N2OS — CID 82672014

IUPAC2-cyano-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CC#N
InChIInChI=1S/C10H10N2OS/c1-14-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyOZSFEOJPQAAGIG-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.26
Rot. Bonds3

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

2-cyano-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 82672014) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-cyano-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylsulfanylphenyl)acetamide
PubChem CID82672014
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-cyano-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CC#N
InChIInChI=1S/C10H10N2OS/c1-14-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChIKeyOZSFEOJPQAAGIG-UHFFFAOYSA-N
XLogP2.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 9105247
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
N-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-2-cyanoacetamide
CID 168524356
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-fluorobenzamide
CID 108922857
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-[3-methyl-2-(propan-2-ylamino)phenyl]acetamide
CID 168520610
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
CID 38168905

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2-methylsulfanylphenyl)acetamide (CID 82672014) is 2-cyano-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is OZSFEOJPQAAGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-14-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-cyano-N-(2-methylsulfanylphenyl)acetamide?
2-cyano-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 206.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 82672014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).