2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide

C17H20N2OS — CID 82095645

IUPAC2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Sc2ccccc2N)c1
InChIInChI=1S/C17H20N2OS/c1-11-8-9-12(2)15(10-11)19-17(20)13(3)21-16-7-5-4-6-14(16)18/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyUPYKKTVTFLZALI-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide

2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide (PubChem CID 82095645) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
PubChem CID82095645
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Sc2ccccc2N)c1
InChIInChI=1S/C17H20N2OS/c1-11-8-9-12(2)15(10-11)19-17(20)13(3)21-16-7-5-4-6-14(16)18/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyUPYKKTVTFLZALI-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 43109464
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
2-(2-aminoethylsulfanyl)-N-(2,5-dimethylphenyl)propanamide
CID 82179912
2-(2-aminophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 71669849
(2S)-N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42353248
N-(2,5-dimethylphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316271
(2R)-N-(2,4-dimethylphenyl)-2-phenylsulfanylpropanamide
CID 846798
N-[3-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906422
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide (CID 82095645) is 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)C(C)Sc2ccccc2N)c1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is UPYKKTVTFLZALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-8-9-12(2)15(10-11)19-17(20)13(3)21-16-7-5-4-6-14(16)18/h4-10,13H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide?
2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 82095645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).