N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide

C19H21N3OS — CID 90791019

IUPACN-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide
SMILESCCN(CC)C(=NC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-3-22(4-2)17(15-11-7-5-8-12-15)20-19(24)21-18(23)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,21,23,24)
InChIKeyCEPFPXRNDYNPCY-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.49
Rot. Bonds4

About N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide

N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide (PubChem CID 90791019) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide
PubChem CID90791019
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide
SMILESCCN(CC)C(=NC(=S)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3OS/c1-3-22(4-2)17(15-11-7-5-8-12-15)20-19(24)21-18(23)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,21,23,24)
InChIKeyCEPFPXRNDYNPCY-UHFFFAOYSA-N
XLogP3.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide 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

[diethylamino(phenyl)methylidene]carbamothioylcarbamic acid
CID 173131051
N-[(E)-1-(diethylamino)ethylidenecarbamothioyl]benzamide
CID 87663130
1-(benzenecarbonothioyl)-3,3-diethyl-1-methylurea
CID 13184586
2-[[(E)-N-(diethylcarbamothioyl)-C-phenylcarbonimidoyl]amino]benzoic acid
CID 139127842
N-[1-(diethylamino)ethylidenecarbamothioyl]furan-2-carboxamide
CID 91325011
1-N,3-N-bis(diethylcarbamoyl)benzene-1,3-dicarboxamide
CID 101037519
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186
N'-[4-[4-[[diethylamino(phenyl)methylidene]amino]phenyl]sulfonylphenyl]-N,N-diethylbenzenecarboximidamide
CID 58753464
N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 1314274
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955234
N-(ethylcarbamoyl)benzamide
CID 23273840

Frequently Asked Questions

What is the IUPAC name of N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide?
The IUPAC name of N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide (CID 90791019) is N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide.
What is the SMILES notation for N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide?
The canonical SMILES for N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide is CCN(CC)C(=NC(=S)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide?
The InChIKey is CEPFPXRNDYNPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-3-22(4-2)17(15-11-7-5-8-12-15)20-19(24)21-18(23)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3,(H,21,23,24).
What are the key properties of N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide?
N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethylamino(phenyl)methylidene]carbamothioyl]benzamide is sourced from PubChem (CID 90791019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).