2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide

C16H18N2O2S — CID 81191402

IUPAC2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H18N2O2S/c1-11-5-3-4-6-14(11)18-16(19)10-21(20)15-9-13(17)8-7-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyUVLSPHDUSWFCTM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.63
Rot. Bonds4

About 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide

2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide (PubChem CID 81191402) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
PubChem CID81191402
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CS(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H18N2O2S/c1-11-5-3-4-6-14(11)18-16(19)10-21(20)15-9-13(17)8-7-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyUVLSPHDUSWFCTM-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

2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
2-(2-amino-3-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81188078
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
2-[2-(5-amino-2-methylanilino)-2-oxoethyl]sulfinylacetamide
CID 114231835
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81193087
2-(1-aminopropan-2-ylsulfinyl)-N-(2-methylphenyl)acetamide
CID 81187833

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide (CID 81191402) is 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CS(=O)c1cc(N)ccc1C.
What is the InChIKey of 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide?
The InChIKey is UVLSPHDUSWFCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-5-3-4-6-14(11)18-16(19)10-21(20)15-9-13(17)8-7-12(15)2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide?
2-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)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-(5-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 81191402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).