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

C13H19ClN2O2S — CID 81175808

IUPAC2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2S/c1-4-13(2,3)16-12(17)8-19(18)11-6-5-9(14)7-10(11)15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNIMAMRWWSNOYDF-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.33
Rot. Bonds5

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

2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide (PubChem CID 81175808) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
PubChem CID81175808
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C13H19ClN2O2S/c1-4-13(2,3)16-12(17)8-19(18)11-6-5-9(14)7-10(11)15/h5-7H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyNIMAMRWWSNOYDF-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.33
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

2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81192225
2-(2-amino-4-chlorophenyl)sulfinylacetamide
CID 81176063
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
5-chloro-2-(3,3-dimethylbutylsulfinyl)aniline
CID 81175330
3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide
CID 81175579
2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
CID 81180842
5-chloro-2-propylsulfinylaniline
CID 81175936
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
5-chloro-2-heptylsulfinylaniline
CID 81175948
2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81193087

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide (CID 81175808) is 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CS(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is NIMAMRWWSNOYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-4-13(2,3)16-12(17)8-19(18)11-6-5-9(14)7-10(11)15/h5-7H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide?
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 302.83 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 81175808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).