N-(dibenzylcarbamothioyl)-2-methylpropanamide

C19H22N2OS — CID 801325

IUPACN-(dibenzylcarbamothioyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2OS/c1-15(2)18(22)20-19(23)21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,22,23)
InChIKeyDHJTUJFNFPVBIW-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.75
Rot. Bonds5

About N-(dibenzylcarbamothioyl)-2-methylpropanamide

N-(dibenzylcarbamothioyl)-2-methylpropanamide (PubChem CID 801325) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(dibenzylcarbamothioyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(dibenzylcarbamothioyl)-2-methylpropanamide
PubChem CID801325
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-(dibenzylcarbamothioyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2OS/c1-15(2)18(22)20-19(23)21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,22,23)
InChIKeyDHJTUJFNFPVBIW-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(dibenzylcarbamothioyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(dibenzylcarbamothioyl)-2-methylpropanamide?
The IUPAC name of N-(dibenzylcarbamothioyl)-2-methylpropanamide (CID 801325) is N-(dibenzylcarbamothioyl)-2-methylpropanamide.
What is the SMILES notation for N-(dibenzylcarbamothioyl)-2-methylpropanamide?
The canonical SMILES for N-(dibenzylcarbamothioyl)-2-methylpropanamide is CC(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(dibenzylcarbamothioyl)-2-methylpropanamide?
The InChIKey is DHJTUJFNFPVBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-15(2)18(22)20-19(23)21(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,20,22,23).
What are the key properties of N-(dibenzylcarbamothioyl)-2-methylpropanamide?
N-(dibenzylcarbamothioyl)-2-methylpropanamide has a molecular weight of 326.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzylcarbamothioyl)-2-methylpropanamide is sourced from PubChem (CID 801325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).