2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide

C15H14Cl2N2OS — CID 43248918

IUPAC2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CSc2ccccc2N)c1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-9-6-7-10(16)15(14(9)17)19-13(20)8-21-12-5-3-2-4-11(12)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyVJHBWINMYHOXIQ-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.61
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide (PubChem CID 43248918) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
PubChem CID43248918
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CSc2ccccc2N)c1Cl
InChIInChI=1S/C15H14Cl2N2OS/c1-9-6-7-10(16)15(14(9)17)19-13(20)8-21-12-5-3-2-4-11(12)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyVJHBWINMYHOXIQ-UHFFFAOYSA-N
XLogP4.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 43377074
2-(2-aminophenyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 23964047
N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705546
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 66225430
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7876500
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7846502
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806685
N-(2,6-dichloro-3-methylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 7558826

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide (CID 43248918) is 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)CSc2ccccc2N)c1Cl.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
The InChIKey is VJHBWINMYHOXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-9-6-7-10(16)15(14(9)17)19-13(20)8-21-12-5-3-2-4-11(12)18/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide has a molecular weight of 341.26 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(2,6-dichloro-3-methylphenyl)acetamide is sourced from PubChem (CID 43248918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).