N-(2-carbamothioylphenyl)-2-hydroxybenzamide

C14H12N2O2S — CID 24692803

IUPACN-(2-carbamothioylphenyl)-2-hydroxybenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1ccccc1O
InChIInChI=1S/C14H12N2O2S/c15-13(19)9-5-1-3-7-11(9)16-14(18)10-6-2-4-8-12(10)17/h1-8,17H,(H2,15,19)(H,16,18)
InChIKeyKVPQMSKDQNCMIG-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.28
Rot. Bonds3

About N-(2-carbamothioylphenyl)-2-hydroxybenzamide

N-(2-carbamothioylphenyl)-2-hydroxybenzamide (PubChem CID 24692803) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2-hydroxybenzamide
PubChem CID24692803
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(2-carbamothioylphenyl)-2-hydroxybenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1ccccc1O
InChIInChI=1S/C14H12N2O2S/c15-13(19)9-5-1-3-7-11(9)16-14(18)10-6-2-4-8-12(10)17/h1-8,17H,(H2,15,19)(H,16,18)
InChIKeyKVPQMSKDQNCMIG-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-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
CID 28538198
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
CID 114369521
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(2-carbamothioylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477465
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
N-(2-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810468
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
N-(2-carbamothioylphenyl)-3-methylpyridine-2-carboxamide
CID 62341176

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2-hydroxybenzamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2-hydroxybenzamide (CID 24692803) is N-(2-carbamothioylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2-hydroxybenzamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2-hydroxybenzamide is NC(=S)c1ccccc1NC(=O)c1ccccc1O.
What is the InChIKey of N-(2-carbamothioylphenyl)-2-hydroxybenzamide?
The InChIKey is KVPQMSKDQNCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-13(19)9-5-1-3-7-11(9)16-14(18)10-6-2-4-8-12(10)17/h1-8,17H,(H2,15,19)(H,16,18).
What are the key properties of N-(2-carbamothioylphenyl)-2-hydroxybenzamide?
N-(2-carbamothioylphenyl)-2-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-(2-carbamothioylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 24692803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).