2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide

C16H18N2O2S — CID 24793393

IUPAC2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2ccccc2N)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-7-8-14(12(2)9-11)18-16(19)10-21(20)15-6-4-3-5-13(15)17/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyDFZOHAIJKWJCRH-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.63
Rot. Bonds4

About 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide

2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide (PubChem CID 24793393) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide
PubChem CID24793393
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2ccccc2N)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-7-8-14(12(2)9-11)18-16(19)10-21(20)15-6-4-3-5-13(15)17/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyDFZOHAIJKWJCRH-UHFFFAOYSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.63
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

CID 5475158
CID 5475158
CID 6433141
CID 6433141
CID 788759
CID 788759
CID 716755
CID 716755
CID 2888981
CID 2888981
CID 5913
CID 5913
CID 295601
CID 295601
CID 367690
CID 367690
CID 652698
CID 652698
CID 655763
CID 655763
CID 806776
CID 806776
CID 846446
CID 846446

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide (CID 24793393) is 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)c2ccccc2N)c(C)c1.
What is the InChIKey of 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is DFZOHAIJKWJCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-7-8-14(12(2)9-11)18-16(19)10-21(20)15-6-4-3-5-13(15)17/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide?
2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfinyl-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 24793393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).