N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide

C15H14N2O3S — CID 885156

IUPACN-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccccc1O
InChIInChI=1S/C15H14N2O3S/c1-20-13-9-5-2-6-10(13)14(19)17-15(21)16-11-7-3-4-8-12(11)18/h2-9,18H,1H3,(H2,16,17,19,21)
InChIKeyMAZOJTIMVWLXIY-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.53
Rot. Bonds3

About N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide

N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide (PubChem CID 885156) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
PubChem CID885156
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(=S)Nc1ccccc1O
InChIInChI=1S/C15H14N2O3S/c1-20-13-9-5-2-6-10(13)14(19)17-15(21)16-11-7-3-4-8-12(11)18/h2-9,18H,1H3,(H2,16,17,19,21)
InChIKeyMAZOJTIMVWLXIY-UHFFFAOYSA-N
XLogP2.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-2,6-dimethoxybenzamide
CID 954653
2-[(2-methoxybenzoyl)carbamothioylamino]benzoate
CID 6945297
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
2-methoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 46760837
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 959869
N-benzyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 4930662
N-butan-2-yl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17151357
N-butyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17149477
2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 4926717
3-bromo-N-[(2-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 3261819
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 954654
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 2214190

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide (CID 885156) is N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(=S)Nc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
The InChIKey is MAZOJTIMVWLXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-13-9-5-2-6-10(13)14(19)17-15(21)16-11-7-3-4-8-12(11)18/h2-9,18H,1H3,(H2,16,17,19,21).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide?
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide has a molecular weight of 302.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide is sourced from PubChem (CID 885156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).