N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide

C12H17ClN2O2S — CID 61303832

IUPACN-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
SMILESCC(C)(C)S(=O)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-12(2,3)18(17)7-11(16)15-10-6-8(14)4-5-9(10)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyOSNLYFIGBIAEIZ-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.41
Rot. Bonds3

About N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide

N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide (PubChem CID 61303832) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
PubChem CID61303832
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
SMILESCC(C)(C)S(=O)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O2S/c1-12(2,3)18(17)7-11(16)15-10-6-8(14)4-5-9(10)13/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyOSNLYFIGBIAEIZ-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.41
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-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
CID 63834271
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(5-amino-2-chlorophenyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 63119546
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide (CID 61303832) is N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide is CC(C)(C)S(=O)CC(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide?
The InChIKey is OSNLYFIGBIAEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-12(2,3)18(17)7-11(16)15-10-6-8(14)4-5-9(10)13/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide?
N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide has a molecular weight of 288.80 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide is sourced from PubChem (CID 61303832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).