N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide

C24H23N3O2S — CID 4944581

IUPACN-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=S)NC(=O)c2ccccc2C)cc1C
InChIInChI=1S/C24H23N3O2S/c1-15-12-13-18(14-17(15)3)25-23(29)20-10-6-7-11-21(20)26-24(30)27-22(28)19-9-5-4-8-16(19)2/h4-14H,1-3H3,(H,25,29)(H2,26,27,28,30)
InChIKeyYIOFHQXRFIKXDI-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.99
Rot. Bonds4

About N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide

N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide (PubChem CID 4944581) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide
PubChem CID4944581
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC NameN-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=S)NC(=O)c2ccccc2C)cc1C
InChIInChI=1S/C24H23N3O2S/c1-15-12-13-18(14-17(15)3)25-23(29)20-10-6-7-11-21(20)26-24(30)27-22(28)19-9-5-4-8-16(19)2/h4-14H,1-3H3,(H,25,29)(H2,26,27,28,30)
InChIKeyYIOFHQXRFIKXDI-UHFFFAOYSA-N
XLogP4.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide 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-(3,4-dimethylphenyl)-2-(tetradecanoylcarbamothioylamino)benzamide
CID 54792273
2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-(3,4-dimethylphenyl)benzamide
CID 4944628
ethyl (E)-4-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobut-2-enoate
CID 6234960
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134
N-(3,4-dimethylphenyl)-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 4937586
N-[(3,4-dimethylphenyl)carbamothioyl]-2-iodobenzamide
CID 1048226
N-[(3,4-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 881377
methyl 3-[2-[(3,4-dimethylphenyl)carbamoyl]anilino]-3-oxopropanoate
CID 28637999
N-(3,4-dimethylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 6234957
N-(3,4-dimethylphenyl)-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4944611
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
N,N'-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]hexanediamide
CID 4945136

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide?
The IUPAC name of N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide (CID 4944581) is N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide.
What is the SMILES notation for N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide?
The canonical SMILES for N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide is Cc1ccc(NC(=O)c2ccccc2NC(=S)NC(=O)c2ccccc2C)cc1C.
What is the InChIKey of N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide?
The InChIKey is YIOFHQXRFIKXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15-12-13-18(14-17(15)3)25-23(29)20-10-6-7-11-21(20)26-24(30)27-22(28)19-9-5-4-8-16(19)2/h4-14H,1-3H3,(H,25,29)(H2,26,27,28,30).
What are the key properties of N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide?
N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-2-methylbenzamide is sourced from PubChem (CID 4944581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).