N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide

C15H16N2O2S2 — CID 70626025

IUPACN-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide
SMILESCSc1cccc(S(=O)c2ccc(N)c(NC(C)=O)c2)c1
InChIInChI=1S/C15H16N2O2S2/c1-10(18)17-15-9-13(6-7-14(15)16)21(19)12-5-3-4-11(8-12)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyIUNXLOWQJPSJIS-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.12
Rot. Bonds4

About N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide

N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide (PubChem CID 70626025) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide
PubChem CID70626025
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide
SMILESCSc1cccc(S(=O)c2ccc(N)c(NC(C)=O)c2)c1
InChIInChI=1S/C15H16N2O2S2/c1-10(18)17-15-9-13(6-7-14(15)16)21(19)12-5-3-4-11(8-12)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyIUNXLOWQJPSJIS-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide 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

N-[2-amino-5-(3-methylphenyl)sulfinylphenyl]acetamide
CID 70626305
N-[2-amino-5-(4-cyanophenyl)sulfinylphenyl]acetamide
CID 70626395
N-[2-amino-5-(benzenesulfinyl)phenyl]propanamide
CID 21438501
N-[2-amino-4-(3-butylphenyl)sulfinylphenyl]acetamide
CID 70626035
N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
CID 20567278
N-[2-amino-4-(benzenesulfinyl)phenyl]-2-methylpropanamide
CID 70625096
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-(2-ethyl-5-methylsulfanylphenyl)acetamide
CID 91881108
N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
CID 70626300
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide?
The IUPAC name of N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide (CID 70626025) is N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide is CSc1cccc(S(=O)c2ccc(N)c(NC(C)=O)c2)c1.
What is the InChIKey of N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide?
The InChIKey is IUNXLOWQJPSJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-10(18)17-15-9-13(6-7-14(15)16)21(19)12-5-3-4-11(8-12)20-2/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide?
N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide has a molecular weight of 320.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(3-methylsulfanylphenyl)sulfinylphenyl]acetamide is sourced from PubChem (CID 70626025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).