(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide

C32H24N6O2S — CID 24805692

IUPAC(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccccc1)=C(/Nc1ccccc1)S/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccccc1
InChIInChI=1S/C32H24N6O2S/c33-21-27(29(39)35-23-13-5-1-6-14-23)31(37-25-17-9-3-10-18-25)41-32(38-26-19-11-4-12-20-26)28(22-34)30(40)36-24-15-7-2-8-16-24/h1-20,37-38H,(H,35,39)(H,36,40)/b31-27+,32-28+
InChIKeyVSUAIQHHAADYCI-WWQQVGJXSA-N
MW556.65 g/mol
LogP6.69
Rot. Bonds10

About (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide

(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide (PubChem CID 24805692) has the molecular formula C32H24N6O2S and a molecular weight of 556.65 g/mol. Its IUPAC name is (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide
PubChem CID24805692
Molecular FormulaC32H24N6O2S
Molecular Weight556.65 g/mol
Exact Mass556.17
IUPAC Name(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide
SMILESN#C/C(C(=O)Nc1ccccc1)=C(/Nc1ccccc1)S/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccccc1
InChIInChI=1S/C32H24N6O2S/c33-21-27(29(39)35-23-13-5-1-6-14-23)31(37-25-17-9-3-10-18-25)41-32(38-26-19-11-4-12-20-26)28(22-34)30(40)36-24-15-7-2-8-16-24/h1-20,37-38H,(H,35,39)(H,36,40)/b31-27+,32-28+
InChIKeyVSUAIQHHAADYCI-WWQQVGJXSA-N
XLogP6.69
TPSA129.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.65
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide 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

(E)-3-anilino-2-cyano-3-[(2-fluorophenyl)methylsulfanyl]-N-phenylprop-2-enamide
CID 45105763
ethyl 4-[(3-anilino-2-cyano-3-methylsulfanylprop-2-enoyl)amino]benzoate
CID 155804067
3-anilino-2-cyano-3-methylsulfanylprop-2-enamide
CID 71334604
3-anilino-N-(4-chlorophenyl)-2-cyano-3-[2-(4-ethylanilino)-2-oxoethyl]sulfanylprop-2-enamide
CID 4113232
3-anilino-2-(2-chlorobenzoyl)-3-methylsulfanylprop-2-enenitrile
CID 85420928
(E)-3-anilino-3-[(4-chlorophenyl)methylsulfanyl]-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 45105749
(Z)-3-anilino-2-cyano-3-methylsulfanylprop-2-enethioamide
CID 23656200
(Z)-2-cyano-3-(dimethylamino)-N-phenylprop-2-enamide
CID 22301644
(Z)-N-(4-tert-butylphenyl)-2-cyano-3-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 110186748
(E)-2-cyano-N,5-diphenylpent-2-en-4-ynamide
CID 100985108
3,3-bis(benzylsulfanyl)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 4624833
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908

Frequently Asked Questions

What is the IUPAC name of (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide (CID 24805692) is (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide is N#C/C(C(=O)Nc1ccccc1)=C(/Nc1ccccc1)S/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide?
The InChIKey is VSUAIQHHAADYCI-WWQQVGJXSA-N. The full InChI is InChI=1S/C32H24N6O2S/c33-21-27(29(39)35-23-13-5-1-6-14-23)31(37-25-17-9-3-10-18-25)41-32(38-26-19-11-4-12-20-26)28(22-34)30(40)36-24-15-7-2-8-16-24/h1-20,37-38H,(H,35,39)(H,36,40)/b31-27+,32-28+.
What are the key properties of (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide?
(E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide has a molecular weight of 556.65 g/mol, XLogP of 6.69, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-anilino-2-cyano-3-[(E)-1,3-dianilino-2-cyano-3-oxoprop-1-enyl]sulfanyl-N-phenylprop-2-enamide is sourced from PubChem (CID 24805692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).