N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide

C16H16N2O4S — CID 954653

IUPACN-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1O
InChIInChI=1S/C16H16N2O4S/c1-21-12-8-5-9-13(22-2)14(12)15(20)18-16(23)17-10-6-3-4-7-11(10)19/h3-9,19H,1-2H3,(H2,17,18,20,23)
InChIKeyDZEPKCKCEYATRA-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.54
Rot. Bonds4

About N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide

N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide (PubChem CID 954653) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
PubChem CID954653
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1O
InChIInChI=1S/C16H16N2O4S/c1-21-12-8-5-9-13(22-2)14(12)15(20)18-16(23)17-10-6-3-4-7-11(10)19/h3-9,19H,1-2H3,(H2,17,18,20,23)
InChIKeyDZEPKCKCEYATRA-UHFFFAOYSA-N
XLogP2.54
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954654
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 40654739
3-bromo-N-[(2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 3261819
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 22779683
N-[(4-iodo-2,5-dimethylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 23096587
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
N-ethanethioyl-2,6-dimethoxybenzamide
CID 849614
2,6-dimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 954556
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 1292820
N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide (CID 954653) is N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
The InChIKey is DZEPKCKCEYATRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-21-12-8-5-9-13(22-2)14(12)15(20)18-16(23)17-10-6-3-4-7-11(10)19/h3-9,19H,1-2H3,(H2,17,18,20,23).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide?
N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide has a molecular weight of 332.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 954653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).