2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide

C9H7ClN2OS — CID 79194235

IUPAC2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
SMILESN#CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-7-3-1-2-4-8(7)14-5-9(13)12-6-11/h1-4H,5H2,(H,12,13)
InChIKeySWOJPTTVSYKIOS-UHFFFAOYSA-N
MW226.69 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide

2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide (PubChem CID 79194235) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
PubChem CID79194235
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
SMILESN#CNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C9H7ClN2OS/c10-7-3-1-2-4-8(7)14-5-9(13)12-6-11/h1-4H,5H2,(H,12,13)
InChIKeySWOJPTTVSYKIOS-UHFFFAOYSA-N
XLogP2.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176005
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870141
N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 5223865
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
3-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261702

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide (CID 79194235) is 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide is N#CNC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide?
The InChIKey is SWOJPTTVSYKIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-7-3-1-2-4-8(7)14-5-9(13)12-6-11/h1-4H,5H2,(H,12,13).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide?
2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide has a molecular weight of 226.69 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide is sourced from PubChem (CID 79194235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).