N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide

C16H16N2O2S — CID 107805517

IUPACN-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C(N)=S)c(O)c1
InChIInChI=1S/C16H16N2O2S/c1-9-6-7-11(13(19)8-9)16(20)18-12-5-3-4-10(2)14(12)15(17)21/h3-8,19H,1-2H3,(H2,17,21)(H,18,20)
InChIKeyNLVNJOSSJQSFNN-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.90
Rot. Bonds3

About N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide

N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide (PubChem CID 107805517) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
PubChem CID107805517
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C)c2C(N)=S)c(O)c1
InChIInChI=1S/C16H16N2O2S/c1-9-6-7-11(13(19)8-9)16(20)18-12-5-3-4-10(2)14(12)15(17)21/h3-8,19H,1-2H3,(H2,17,21)(H,18,20)
InChIKeyNLVNJOSSJQSFNN-UHFFFAOYSA-N
XLogP2.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-carbamothioyl-3-methylphenyl)-5-chloro-2-methylbenzamide
CID 107805746
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamothioyl-3-methylphenyl)-2-methylpyridine-3-carboxamide
CID 107805614
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
5-bromo-N-(2-carbamothioyl-3-methylphenyl)-2-fluorobenzamide
CID 107805652
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646
3-bromo-N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805603
N-(2-carbamothioyl-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 107805578
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-methylbenzamide
CID 62097745

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide (CID 107805517) is N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C)c2C(N)=S)c(O)c1.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is NLVNJOSSJQSFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-6-7-11(13(19)8-9)16(20)18-12-5-3-4-10(2)14(12)15(17)21/h3-8,19H,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide?
N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 107805517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).