N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide

C9H10Cl2N2OS — CID 61023180

IUPACN-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H10Cl2N2OS/c1-15-4-8(14)13-9-6(10)2-5(12)3-7(9)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyFZHVZKIMHMZFQJ-UHFFFAOYSA-N
MW265.17 g/mol
LogP2.88
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide

N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide (PubChem CID 61023180) has the molecular formula C9H10Cl2N2OS and a molecular weight of 265.17 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
PubChem CID61023180
Molecular FormulaC9H10Cl2N2OS
Molecular Weight265.17 g/mol
Exact Mass263.99
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H10Cl2N2OS/c1-15-4-8(14)13-9-6(10)2-5(12)3-7(9)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyFZHVZKIMHMZFQJ-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 52.88
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

N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64788324
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 55203691
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
N-(4-amino-2,6-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 61346085
methyl 2-[4-(4-amino-2,6-dichloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618026
N-(4-amino-2,6-dichlorophenyl)-2-(2-methyloxolan-3-yl)sulfanylacetamide
CID 107748372
N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63380982
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylacetamide
CID 61304432
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
CID 61286801

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide (CID 61023180) is N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide?
The InChIKey is FZHVZKIMHMZFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2OS/c1-15-4-8(14)13-9-6(10)2-5(12)3-7(9)11/h2-3H,4,12H2,1H3,(H,13,14).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide?
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide has a molecular weight of 265.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 61023180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).