4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide

C24H21N3O2S — CID 54860005

IUPAC4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(N3Cc4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-2-16-7-9-17(10-8-16)22(28)26-24(30)25-19-11-13-20(14-12-19)27-15-18-5-3-4-6-21(18)23(27)29/h3-14H,2,15H2,1H3,(H2,25,26,28,30)
InChIKeyLVPMALVSWIYIMV-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.54
Rot. Bonds4

About 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide

4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide (PubChem CID 54860005) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide
PubChem CID54860005
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(N3Cc4ccccc4C3=O)cc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-2-16-7-9-17(10-8-16)22(28)26-24(30)25-19-11-13-20(14-12-19)27-15-18-5-3-4-6-21(18)23(27)29/h3-14H,2,15H2,1H3,(H2,25,26,28,30)
InChIKeyLVPMALVSWIYIMV-UHFFFAOYSA-N
XLogP4.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]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

N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 54859968
4-morpholin-4-yl-3-nitro-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide
CID 54860006
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858216
N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-4-ethylbenzamide
CID 17116309
4-ethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1317508
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099848
N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
CID 54858187
N-[(4-ethylphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 815863
nonyl 4-(3-oxo-1H-isoindol-2-yl)benzoate
CID 15937399
4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 2993529

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide (CID 54860005) is 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide is CCc1ccc(C(=O)NC(=S)Nc2ccc(N3Cc4ccccc4C3=O)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide?
The InChIKey is LVPMALVSWIYIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-2-16-7-9-17(10-8-16)22(28)26-24(30)25-19-11-13-20(14-12-19)27-15-18-5-3-4-6-21(18)23(27)29/h3-14H,2,15H2,1H3,(H2,25,26,28,30).
What are the key properties of 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide?
4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 54860005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).