N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide

C16H16N2O2S — CID 885104

IUPACN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1
InChIInChI=1S/C16H16N2O2S/c1-10-7-8-14(19)13(9-10)17-16(21)18-15(20)12-6-4-3-5-11(12)2/h3-9,19H,1-2H3,(H2,17,18,20,21)
InChIKeyHNYNUWANCFHQSF-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.14
Rot. Bonds2

About N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide

N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide (PubChem CID 885104) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
PubChem CID885104
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
SMILESCc1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1
InChIInChI=1S/C16H16N2O2S/c1-10-7-8-14(19)13(9-10)17-16(21)18-15(20)12-6-4-3-5-11(12)2/h3-9,19H,1-2H3,(H2,17,18,20,21)
InChIKeyHNYNUWANCFHQSF-UHFFFAOYSA-N
XLogP3.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.14
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

2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 4926717
2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 961010
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3-iodo-4-methylbenzamide
CID 5121233
N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dimethylbenzamide
CID 1396065
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 1345142
3-methyl-4-[(2-methylbenzoyl)carbamothioylamino]benzoic acid
CID 28686854
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
2-bromo-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]benzamide
CID 1016508
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5172592
N-[(2-chloro-4-methylphenyl)carbamothioyl]-2,3-dimethylbenzamide
CID 924543

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide?
The IUPAC name of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide (CID 885104) is N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide?
The canonical SMILES for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide is Cc1ccc(O)c(NC(=S)NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide?
The InChIKey is HNYNUWANCFHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-7-8-14(19)13(9-10)17-16(21)18-15(20)12-6-4-3-5-11(12)2/h3-9,19H,1-2H3,(H2,17,18,20,21).
What are the key properties of N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide?
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide is sourced from PubChem (CID 885104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).