N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide

C10H11N3OS — CID 78965600

IUPACN-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C10H11N3OS/c1-15-6-10(14)13-9-3-2-7(5-11)4-8(9)12/h2-4H,6,12H2,1H3,(H,13,14)
InChIKeyROLNABIJQQSNQX-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.44
Rot. Bonds3

About N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide

N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide (PubChem CID 78965600) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
PubChem CID78965600
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC NameN-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(C#N)cc1N
InChIInChI=1S/C10H11N3OS/c1-15-6-10(14)13-9-3-2-7(5-11)4-8(9)12/h2-4H,6,12H2,1H3,(H,13,14)
InChIKeyROLNABIJQQSNQX-UHFFFAOYSA-N
XLogP1.44
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide 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-4-iodophenyl)-2-methylsulfanylacetamide
CID 164649538
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
CID 78965143
N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-[4-(2-amino-4-cyanoanilino)phenyl]acetamide
CID 82486997
N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 43376508
N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 78965569
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
1-(2-amino-4-cyanophenyl)-3-[(2,6-dimethylphenyl)methyl]urea
CID 143443807

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide (CID 78965600) is N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(C#N)cc1N.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide?
The InChIKey is ROLNABIJQQSNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-15-6-10(14)13-9-3-2-7(5-11)4-8(9)12/h2-4H,6,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide?
N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide has a molecular weight of 221.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 78965600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).