N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide

C15H13N3OS — CID 70626300

IUPACN-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cc(Sc2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C15H13N3OS/c1-10(19)18-15-8-13(6-7-14(15)17)20-12-4-2-11(9-16)3-5-12/h2-8H,17H2,1H3,(H,18,19)
InChIKeyQZZVGOGDXRWOEE-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.25
Rot. Bonds3

About N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide

N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide (PubChem CID 70626300) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
PubChem CID70626300
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1cc(Sc2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C15H13N3OS/c1-10(19)18-15-8-13(6-7-14(15)17)20-12-4-2-11(9-16)3-5-12/h2-8H,17H2,1H3,(H,18,19)
InChIKeyQZZVGOGDXRWOEE-UHFFFAOYSA-N
XLogP3.25
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]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-(4-cyanophenyl)sulfinylphenyl]acetamide
CID 70626395
4-(4-amino-3-chlorophenyl)sulfanylbenzonitrile
CID 91667901
N-[4-(4-acetamido-3-aminophenyl)sulfanylphenyl]acetamide
CID 70625915
N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
CID 20567278
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
CID 18545768
N-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylphenyl]acetamide
CID 70625796
N-[4-(3-bromo-5-cyanophenyl)sulfanylphenyl]acetamide
CID 102818363
3-amino-4-fluorobenzonitrile;N-(5-cyano-2-fluorophenyl)acetamide
CID 158537950
4-(4-cyanophenyl)sulfanylphthalic acid
CID 91878236
N-[2-(2-amino-5-cyanophenoxy)phenyl]acetamide
CID 104712475
methyl 2-cyano-4-(4-cyanophenyl)sulfanylbenzoate
CID 91878440
methyl 4-(4-cyanophenyl)sulfanyl-2-iodobenzoate
CID 91878439

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide (CID 70626300) is N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide is CC(=O)Nc1cc(Sc2ccc(C#N)cc2)ccc1N.
What is the InChIKey of N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide?
The InChIKey is QZZVGOGDXRWOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10(19)18-15-8-13(6-7-14(15)17)20-12-4-2-11(9-16)3-5-12/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide?
N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide has a molecular weight of 283.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-cyanophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 70626300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).