2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

C13H19ClN2OS — CID 43305275

IUPAC2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-4-13(2,3)16-12(17)8-18-11-6-5-9(15)7-10(11)14/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyCIMZYCJQBNARFS-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide

2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 43305275) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID43305275
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CSc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-4-13(2,3)16-12(17)8-18-11-6-5-9(15)7-10(11)14/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyCIMZYCJQBNARFS-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.32
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'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 43305347
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43301260
2-(4-amino-2,6-dichlorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486362
2-(4-amino-2-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43305259
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 61486339
methyl 3-(4-amino-2-chlorophenyl)sulfanyl-2,2-dimethylpropanoate
CID 79629629
3-(4-amino-2-chlorophenyl)sulfanyl-N-ethylpropanamide
CID 62324063

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide (CID 43305275) is 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CSc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is CIMZYCJQBNARFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-4-13(2,3)16-12(17)8-18-11-6-5-9(15)7-10(11)14/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide?
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 286.83 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfanyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 43305275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).