N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide

C16H18N2O2S — CID 61302398

IUPACN-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
SMILESCc1ccc(S(=O)CCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-6-8-13(9-7-12)21(20)11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyHHIDTKUGGBPJDT-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.71
Rot. Bonds5

About N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide

N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide (PubChem CID 61302398) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
PubChem CID61302398
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
SMILESCc1ccc(S(=O)CCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C16H18N2O2S/c1-12-6-8-13(9-7-12)21(20)11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyHHIDTKUGGBPJDT-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.71
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-(2-aminophenyl)-3-thiophen-2-ylsulfinylpropanamide
CID 61302260
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N-(2-aminophenyl)-4-ethylsulfinylbutanamide
CID 61303639
N-(2-aminophenyl)-2-(4-methylphenyl)sulfinylpropanamide
CID 61302211
N-(2-aminophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753768
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(3-amino-2-methylphenyl)-3-tert-butylsulfinylpropanamide
CID 61304225
N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide
CID 159516285

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide (CID 61302398) is N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide is Cc1ccc(S(=O)CCC(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide?
The InChIKey is HHIDTKUGGBPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-6-8-13(9-7-12)21(20)11-10-16(19)18-15-5-3-2-4-14(15)17/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide?
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide has a molecular weight of 302.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide is sourced from PubChem (CID 61302398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).