N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide

C12H16Cl2N2O2S — CID 61286801

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
SMILESCC(C)CS(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-7(2)5-19(18)6-11(17)16-12-9(13)3-8(15)4-10(12)14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyCZEABDRUZHENPW-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.92
Rot. Bonds5

About N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide

N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide (PubChem CID 61286801) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
PubChem CID61286801
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide
SMILESCC(C)CS(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-7(2)5-19(18)6-11(17)16-12-9(13)3-8(15)4-10(12)14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyCZEABDRUZHENPW-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.92
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-propylsulfinylacetamide
CID 61304432
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-(4-amino-2,6-dichlorophenyl)-2-propylsulfinylpropanamide
CID 61302841
N-(4-amino-2,6-dichlorophenyl)-3-pentylsulfinylpropanamide
CID 107753531
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2,6-dichlorophenyl)-2-(4-methylpentan-2-yloxy)propanamide
CID 60725471
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpentoxy)acetamide
CID 103283073
N-(4-amino-2,6-dichlorophenyl)-3-pentan-2-yloxypropanamide
CID 102980723

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide (CID 61286801) is N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide is CC(C)CS(=O)CC(=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide?
The InChIKey is CZEABDRUZHENPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-7(2)5-19(18)6-11(17)16-12-9(13)3-8(15)4-10(12)14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide?
N-(4-amino-2,6-dichlorophenyl)-2-(2-methylpropylsulfinyl)acetamide has a molecular weight of 323.25 g/mol, XLogP of 2.92, 5 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-(2-methylpropylsulfinyl)acetamide is sourced from PubChem (CID 61286801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).