N-(3-carbamothioylphenyl)-4-hydroxybenzamide

C14H12N2O2S — CID 24695389

IUPACN-(3-carbamothioylphenyl)-4-hydroxybenzamide
SMILESNC(=S)c1cccc(NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C14H12N2O2S/c15-13(19)10-2-1-3-11(8-10)16-14(18)9-4-6-12(17)7-5-9/h1-8,17H,(H2,15,19)(H,16,18)
InChIKeyVYLYGFNEDJOXAQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.28
Rot. Bonds3

About N-(3-carbamothioylphenyl)-4-hydroxybenzamide

N-(3-carbamothioylphenyl)-4-hydroxybenzamide (PubChem CID 24695389) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-4-hydroxybenzamide
PubChem CID24695389
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(3-carbamothioylphenyl)-4-hydroxybenzamide
SMILESNC(=S)c1cccc(NC(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C14H12N2O2S/c15-13(19)10-2-1-3-11(8-10)16-14(18)9-4-6-12(17)7-5-9/h1-8,17H,(H2,15,19)(H,16,18)
InChIKeyVYLYGFNEDJOXAQ-UHFFFAOYSA-N
XLogP2.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-carbamothioylphenyl)-3,4-dihydroxybenzamide
CID 107728355
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
3-carbamothioyl-N-(3-iodophenyl)benzamide
CID 28977640
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
N-(3-carbamothioylphenyl)-2,6-dichlorobenzamide
CID 29040184
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298712
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-4-hydroxybenzamide?
The IUPAC name of N-(3-carbamothioylphenyl)-4-hydroxybenzamide (CID 24695389) is N-(3-carbamothioylphenyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-4-hydroxybenzamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-4-hydroxybenzamide is NC(=S)c1cccc(NC(=O)c2ccc(O)cc2)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-4-hydroxybenzamide?
The InChIKey is VYLYGFNEDJOXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-13(19)10-2-1-3-11(8-10)16-14(18)9-4-6-12(17)7-5-9/h1-8,17H,(H2,15,19)(H,16,18).
What are the key properties of N-(3-carbamothioylphenyl)-4-hydroxybenzamide?
N-(3-carbamothioylphenyl)-4-hydroxybenzamide has a molecular weight of 272.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-4-hydroxybenzamide is sourced from PubChem (CID 24695389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).