N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide

C12H16Cl2N2O2S — CID 61304232

IUPACN-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
SMILESCC(C)(C)S(=O)CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-12(2,3)19(18)6-10(17)16-11-8(14)4-7(13)5-9(11)15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyCUWJADRFVLVOOS-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.06
Rot. Bonds3

About N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide

N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide (PubChem CID 61304232) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
PubChem CID61304232
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
SMILESCC(C)(C)S(=O)CC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-12(2,3)19(18)6-10(17)16-11-8(14)4-7(13)5-9(11)15/h4-5H,6,15H2,1-3H3,(H,16,17)
InChIKeyCUWJADRFVLVOOS-UHFFFAOYSA-N
XLogP3.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.06
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-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
CID 61303832
N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
CID 115941858
N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 79380076
2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101399
N-(2-amino-4,6-dichlorophenyl)-3-(2-methoxyethylsulfinyl)propanamide
CID 61286405
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29276076

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide (CID 61304232) is N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide is CC(C)(C)S(=O)CC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide?
The InChIKey is CUWJADRFVLVOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-12(2,3)19(18)6-10(17)16-11-8(14)4-7(13)5-9(11)15/h4-5H,6,15H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide?
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide has a molecular weight of 323.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide is sourced from PubChem (CID 61304232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).