N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide

C18H19N3O2S — CID 766939

IUPACN-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-17(14-4-2-1-3-5-14)20-18(24)19-15-6-8-16(9-7-15)21-10-12-23-13-11-21/h1-9H,10-13H2,(H2,19,20,22,24)
InChIKeyZSOPSVVEKQFKQA-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.65
Rot. Bonds3

About N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide

N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide (PubChem CID 766939) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
PubChem CID766939
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c22-17(14-4-2-1-3-5-14)20-18(24)19-15-6-8-16(9-7-15)21-10-12-23-13-11-21/h1-9H,10-13H2,(H2,19,20,22,24)
InChIKeyZSOPSVVEKQFKQA-UHFFFAOYSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide (CID 766939) is N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccccc1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide?
The InChIKey is ZSOPSVVEKQFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-17(14-4-2-1-3-5-14)20-18(24)19-15-6-8-16(9-7-15)21-10-12-23-13-11-21/h1-9H,10-13H2,(H2,19,20,22,24).
What are the key properties of N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide?
N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide has a molecular weight of 341.44 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 766939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).