N-[(4-hydroxyphenyl)carbamothioyl]benzamide

C14H12N2O2S — CID 882379

IUPACN-[(4-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-12-8-6-11(7-9-12)15-14(19)16-13(18)10-4-2-1-3-5-10/h1-9,17H,(H2,15,16,18,19)
InChIKeyIXIXXUYUTQTFIS-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.52
Rot. Bonds2

About N-[(4-hydroxyphenyl)carbamothioyl]benzamide

N-[(4-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 882379) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID882379
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-12-8-6-11(7-9-12)15-14(19)16-13(18)10-4-2-1-3-5-10/h1-9,17H,(H2,15,16,18,19)
InChIKeyIXIXXUYUTQTFIS-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Osalmid
CID 4602
N-(4-hydroxyphenyl)-3-methylbenzamide
CID 836078
1-[(4-Hydroxybenzoyl)amino]-3-phenylthiourea
CID 792312
1-Benzoyl-3-(2-hydroxy-phenyl)-urea
CID 1092635
2-hydroxy-N-[(phenylcarbamothioyl)amino]benzamide
CID 2305168
(E)-3-(4-fluorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 773768
3,5-dimethyl PIT-1
CID 4999938
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-(4-hydroxyphenyl)-4-methylbenzamide
CID 4178408
Methyl 4-({[(4-hydroxyphenyl)amino]carbonothioyl}amino)benzoate
CID 726319
(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786686
N-{[(4-methoxyphenyl)amino]carbonyl}benzamide
CID 977500

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]benzamide (CID 882379) is N-[(4-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is IXIXXUYUTQTFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-12-8-6-11(7-9-12)15-14(19)16-13(18)10-4-2-1-3-5-10/h1-9,17H,(H2,15,16,18,19).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
N-[(4-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 272.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 882379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).