N-[(2-hydroxyphenyl)carbamothioyl]benzamide

C14H12N2O2S — CID 872065

IUPACN-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-12-9-5-4-8-11(12)15-14(19)16-13(18)10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18,19)
InChIKeyRCKKAMQNVBUTBN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.52
Rot. Bonds2

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

N-[(2-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 872065) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID872065
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1ccccc1
InChIInChI=1S/C14H12N2O2S/c17-12-9-5-4-8-11(12)15-14(19)16-13(18)10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18,19)
InChIKeyRCKKAMQNVBUTBN-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(4-Hydroxybenzoyl)amino]-3-phenylthiourea
CID 792312
1-Benzoyl-3-(2-hydroxy-phenyl)-urea
CID 1092635
(E)-3-(4-fluorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 773768
3,5-dimethyl PIT-1
CID 4999938
(E)-N-[(2-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786686
N-{[(2-hydroxy-3,5-dimethylphenyl)amino]carbonothioyl}-2-phenylacetamide
CID 798461
4-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 6461311
N-[(4-hydroxyphenyl)carbamothioyl]-4-phenylbenzamide
CID 833376
Benzamide, 2-hydroxy-N-(2-hydroxyphenyl)-
CID 943655
4-tert-butyl-N-[(5-tert-butyl-2-hydroxyphenyl)carbamothioyl]benzamide
CID 5064069
N-(2-Hydroxy-5-methylphenyl)benzamide
CID 5073804
N-(2-Hydroxyphenyl)benzamide
CID 231766

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]benzamide (CID 872065) is N-[(2-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1O)c1ccccc1.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is RCKKAMQNVBUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-12-9-5-4-8-11(12)15-14(19)16-13(18)10-6-2-1-3-7-10/h1-9,17H,(H2,15,16,18,19).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
N-[(2-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-[(2-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 872065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).