N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide

C28H23N3O2S — CID 26164899

IUPACN-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C28H23N3O2S/c1-19-7-5-11-24(17-19)29-27(33)23-10-6-12-25(18-23)30-28(34)31-26(32)22-15-13-21(14-16-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,29,33)(H2,30,31,32,34)
InChIKeyGRAMXGHBRNXSEI-UHFFFAOYSA-N
MW465.58 g/mol
LogP6.04
Rot. Bonds5

About N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide

N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide (PubChem CID 26164899) has the molecular formula C28H23N3O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide
PubChem CID26164899
Molecular FormulaC28H23N3O2S
Molecular Weight465.58 g/mol
Exact Mass465.15
IUPAC NameN-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide
SMILESCc1cccc(NC(=O)c2cccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C28H23N3O2S/c1-19-7-5-11-24(17-19)29-27(33)23-10-6-12-25(18-23)30-28(34)31-26(32)22-15-13-21(14-16-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,29,33)(H2,30,31,32,34)
InChIKeyGRAMXGHBRNXSEI-UHFFFAOYSA-N
XLogP6.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]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-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
3-[(4-ethoxybenzoyl)carbamothioylamino]-N-(3-methylphenyl)benzamide
CID 26164999
N-[(3-benzamidophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 1340575
N-[(4-benzamido-3-methylphenyl)carbamothioyl]-3-methylbenzamide
CID 54781857
3-methoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
CID 882848
3-(benzoylcarbamothioylamino)-N-(4-fluorophenyl)benzamide
CID 26159726
N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 26165046
N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-nitrobenzamide
CID 26164901
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-phenylbenzamide
CID 2209632
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
3-[(4-tert-butylbenzoyl)carbamothioylamino]benzoic acid
CID 1327126

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide?
The IUPAC name of N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide (CID 26164899) is N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide?
The canonical SMILES for N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide is Cc1cccc(NC(=O)c2cccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide?
The InChIKey is GRAMXGHBRNXSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2S/c1-19-7-5-11-24(17-19)29-27(33)23-10-6-12-25(18-23)30-28(34)31-26(32)22-15-13-21(14-16-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,29,33)(H2,30,31,32,34).
What are the key properties of N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide?
N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide has a molecular weight of 465.58 g/mol, XLogP of 6.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[(4-phenylbenzoyl)carbamothioylamino]benzamide is sourced from PubChem (CID 26164899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).