N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide

C15H14N2O2S — CID 884396

IUPACN-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccccc1O
InChIInChI=1S/C15H14N2O2S/c18-13-9-5-4-8-12(13)16-15(20)17-14(19)10-11-6-2-1-3-7-11/h1-9,18H,10H2,(H2,16,17,19,20)
InChIKeySODHNGIFNYFODL-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.45
Rot. Bonds3

About N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide

N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 884396) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID884396
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1ccccc1O
InChIInChI=1S/C15H14N2O2S/c18-13-9-5-4-8-12(13)16-15(20)17-14(19)10-11-6-2-1-3-7-11/h1-9,18H,10H2,(H2,16,17,19,20)
InChIKeySODHNGIFNYFODL-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide 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

1-Benzoyl-3-(2-hydroxy-phenyl)-urea
CID 1092635
N-(2-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 2849603
(E)-3-(4-fluorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 773768
(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786686
N-{[(2-hydroxy-3,5-dimethylphenyl)amino]carbonothioyl}-2-phenylacetamide
CID 798461
N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide
CID 833376
4-tert-butyl-N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 5064069
N-(5-amino-2-hydroxyphenyl)-2-phenylacetamide
CID 10263768
N-(2-Hydroxyphenyl)benzamide
CID 231766
Benzeneacetamide, N-(2-hydroxyphenyl)-
CID 835599
Urea, 1-benzoyl-3-(o-hydroxyphenyl)-2-thio-
CID 872065
N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide (CID 884396) is N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=S)Nc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is SODHNGIFNYFODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-13-9-5-4-8-12(13)16-15(20)17-14(19)10-11-6-2-1-3-7-11/h1-9,18H,10H2,(H2,16,17,19,20).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 286.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 884396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).