N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide

C20H23N3O2S — CID 2237501

IUPACN-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-20(2,3)18(25)21-19(26)23-22-17(24)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3,(H,22,24)(H2,21,23,25,26)
InChIKeyZMIULHYUSUITAX-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.89
Rot. Bonds3

About N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide

N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide (PubChem CID 2237501) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide
PubChem CID2237501
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O2S/c1-20(2,3)18(25)21-19(26)23-22-17(24)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3,(H,22,24)(H2,21,23,25,26)
InChIKeyZMIULHYUSUITAX-UHFFFAOYSA-N
XLogP2.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide (CID 2237501) is N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide?
The InChIKey is ZMIULHYUSUITAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-20(2,3)18(25)21-19(26)23-22-17(24)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,1-3H3,(H,22,24)(H2,21,23,25,26).
What are the key properties of N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide?
N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide has a molecular weight of 369.49 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2237501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).