N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide

C16H18N2O2S — CID 61287855

IUPACN-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
SMILESCc1cc(N)ccc1NC(=O)CS(=O)c1ccccc1C
InChIInChI=1S/C16H18N2O2S/c1-11-5-3-4-6-15(11)21(20)10-16(19)18-14-8-7-13(17)9-12(14)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyKJYPMLHBMITWTL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.63
Rot. Bonds4

About N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide

N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide (PubChem CID 61287855) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
PubChem CID61287855
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
SMILESCc1cc(N)ccc1NC(=O)CS(=O)c1ccccc1C
InChIInChI=1S/C16H18N2O2S/c1-11-5-3-4-6-15(11)21(20)10-16(19)18-14-8-7-13(17)9-12(14)2/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyKJYPMLHBMITWTL-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-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81191402
N-(3-aminophenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61286825
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(2-amino-3-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81188078
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81193087
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide (CID 61287855) is N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide is Cc1cc(N)ccc1NC(=O)CS(=O)c1ccccc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide?
The InChIKey is KJYPMLHBMITWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-5-3-4-6-15(11)21(20)10-16(19)18-14-8-7-13(17)9-12(14)2/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide?
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide 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 N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide is sourced from PubChem (CID 61287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).