N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide

C20H16N2O2S — CID 833376

IUPACN-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O2S/c23-18-12-10-17(11-13-18)21-20(25)22-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,23H,(H2,21,22,24,25)
InChIKeyDHWMOAIAKQCTOK-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.19
Rot. Bonds3

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

N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide (PubChem CID 833376) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide
PubChem CID833376
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide
SMILESO=C(NC(=S)Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16N2O2S/c23-18-12-10-17(11-13-18)21-20(25)22-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,23H,(H2,21,22,24,25)
InChIKeyDHWMOAIAKQCTOK-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.19
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

MK2a Inhibitor
CID 11382492
N-[(1E,3E)-1-(4-Hydroxy-phenylcarbamoyl)-4-phenyl-buta-1,3-dienyl]-benzamide
CID 5913663
N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide
CID 1014365
3-(3-([1,1'-Biphenyl]-4-carbonyl)thioureido)benzoic acid
CID 1327076
4-tert-butyl-N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 5064069
N-(4-hydroxy-phenyl)-4-cyclohexyl-benzamide
CID 54171586
Urea, 1-benzoyl-3-(o-hydroxyphenyl)-2-thio-
CID 872065
N-(((4-Hydroxyphenyl)amino)thioxomethyl)benzamide
CID 882379
4-(1,1-Dimethylethyl)-N-(4-hydroxyphenyl)benzamide
CID 667621
N-(4-hydroxyphenyl)-4-[(phenylacetyl)amino]benzamide
CID 839598
3-{[(Diphenylacetyl)carbamothioyl]amino}-4-methylbenzoic acid
CID 2295216
2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 968980

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide?
The IUPAC name of N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide (CID 833376) is N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide?
The canonical SMILES for N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide is O=C(NC(=S)Nc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide?
The InChIKey is DHWMOAIAKQCTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-18-12-10-17(11-13-18)21-20(25)22-19(24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,23H,(H2,21,22,24,25).
What are the key properties of N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide?
N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide has a molecular weight of 348.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide is sourced from PubChem (CID 833376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).