N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide

C15H13N3O3S — CID 2136521

IUPACN-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
SMILESO=C(NC(=S)NNC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
InChIKeyWPHNNNSMXMVSEU-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.34
Rot. Bonds2

About N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide

N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide (PubChem CID 2136521) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
PubChem CID2136521
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
SMILESO=C(NC(=S)NNC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22)
InChIKeyWPHNNNSMXMVSEU-UHFFFAOYSA-N
XLogP1.34
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-hydroxybenzoyl)amino]carbamothioyl]benzamide?
The IUPAC name of N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide (CID 2136521) is N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide?
The canonical SMILES for N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide is O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccccc1.
What is the InChIKey of N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide?
The InChIKey is WPHNNNSMXMVSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10/h1-9,19H,(H,17,21)(H2,16,18,20,22).
What are the key properties of N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide?
N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide has a molecular weight of 315.35 g/mol, XLogP of 1.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 2136521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).