N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide

C9H10ClNO2S — CID 64788324

IUPACN-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C9H10ClNO2S/c1-14-5-9(13)11-8-3-2-6(12)4-7(8)10/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyXMUFYJCRRXSJDP-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.35
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide

N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide (PubChem CID 64788324) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
PubChem CID64788324
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C9H10ClNO2S/c1-14-5-9(13)11-8-3-2-6(12)4-7(8)10/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyXMUFYJCRRXSJDP-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
N-(2-chloro-4-hydroxyphenyl)acetamide
CID 14590937
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
N-(2-chloro-4-hydroxyphenyl)nonanamide
CID 65427497
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
N-(2-chloro-4-hydroxyphenyl)but-2-enamide
CID 77042642
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide (CID 64788324) is N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
The InChIKey is XMUFYJCRRXSJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-14-5-9(13)11-8-3-2-6(12)4-7(8)10/h2-4,12H,5H2,1H3,(H,11,13).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide?
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide has a molecular weight of 231.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 64788324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).