N-(2,6-dichlorophenyl)-2-sulfanylacetamide

C8H7Cl2NOS — CID 14567957

IUPACN-(2,6-dichlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NOS/c9-5-2-1-3-6(10)8(5)11-7(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyHJMIYGDIKLUAGA-UHFFFAOYSA-N
MW236.12 g/mol
LogP2.86
Rot. Bonds2

About N-(2,6-dichlorophenyl)-2-sulfanylacetamide

N-(2,6-dichlorophenyl)-2-sulfanylacetamide (PubChem CID 14567957) has the molecular formula C8H7Cl2NOS and a molecular weight of 236.12 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-sulfanylacetamide
PubChem CID14567957
Molecular FormulaC8H7Cl2NOS
Molecular Weight236.12 g/mol
Exact Mass234.96
IUPAC NameN-(2,6-dichlorophenyl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NOS/c9-5-2-1-3-6(10)8(5)11-7(12)4-13/h1-3,13H,4H2,(H,11,12)
InChIKeyHJMIYGDIKLUAGA-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-2-isocyanoacetamide
CID 108814859
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553
2-(4-aminophenyl)-N-(2,6-dichlorophenyl)acetamide
CID 28711873
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 63646991
N-(2,6-dichlorophenyl)-3-(4-fluoroanilino)propanamide
CID 109037778

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-sulfanylacetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-sulfanylacetamide (CID 14567957) is N-(2,6-dichlorophenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-sulfanylacetamide is O=C(CS)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-sulfanylacetamide?
The InChIKey is HJMIYGDIKLUAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NOS/c9-5-2-1-3-6(10)8(5)11-7(12)4-13/h1-3,13H,4H2,(H,11,12).
What are the key properties of N-(2,6-dichlorophenyl)-2-sulfanylacetamide?
N-(2,6-dichlorophenyl)-2-sulfanylacetamide has a molecular weight of 236.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-sulfanylacetamide is sourced from PubChem (CID 14567957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).