2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide

C23H20N4O2S — CID 33296747

IUPAC2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccccc2Sc2ccccc2C#N)c1
InChIInChI=1S/C23H20N4O2S/c1-27(2)18-10-7-9-16(14-18)22(28)25-26-23(29)19-11-4-6-13-21(19)30-20-12-5-3-8-17(20)15-24/h3-14H,1-2H3,(H,25,28)(H,26,29)
InChIKeyHABRCASNJXVWCN-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide

2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide (PubChem CID 33296747) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide
PubChem CID33296747
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)c2ccccc2Sc2ccccc2C#N)c1
InChIInChI=1S/C23H20N4O2S/c1-27(2)18-10-7-9-16(14-18)22(28)25-26-23(29)19-11-4-6-13-21(19)30-20-12-5-3-8-17(20)15-24/h3-14H,1-2H3,(H,25,28)(H,26,29)
InChIKeyHABRCASNJXVWCN-UHFFFAOYSA-N
XLogP3.85
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide 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

2-[(5-bromo-2-pyridinyl)sulfanyl]-N'-[3-(dimethylamino)benzoyl]benzohydrazide
CID 55966633
2-(2-cyanophenyl)sulfanyl-N-(3,5-dimethylphenyl)benzamide
CID 43008037
2-(2-cyanophenyl)sulfanyl-N-phenylbenzamide
CID 1471282
2-(2-cyanophenyl)sulfanyl-N-(2,2-dimethylpropyl)benzamide
CID 17139487
N'-(4-tert-butylbenzoyl)-3-(dimethylamino)benzohydrazide
CID 26184746
N-[(2S)-butan-2-yl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 93241968
N-[3-(carbamoylamino)phenyl]-2-(2-cyanophenyl)sulfanylbenzamide
CID 34111218
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
3-(dimethylamino)-N'-(2-ethylbutanoyl)benzohydrazide
CID 78779693
2-[3-[[3-(dimethylamino)benzoyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550453
N'-[2-(4-cyanophenoxy)propanoyl]-3-(dimethylamino)benzohydrazide
CID 78779270
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide?
The IUPAC name of 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide (CID 33296747) is 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide.
What is the SMILES notation for 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide?
The canonical SMILES for 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)c2ccccc2Sc2ccccc2C#N)c1.
What is the InChIKey of 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide?
The InChIKey is HABRCASNJXVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-27(2)18-10-7-9-16(14-18)22(28)25-26-23(29)19-11-4-6-13-21(19)30-20-12-5-3-8-17(20)15-24/h3-14H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide?
2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide has a molecular weight of 416.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)sulfanyl-N'-[3-(dimethylamino)benzoyl]benzohydrazide is sourced from PubChem (CID 33296747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).