2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide

C17H18N2O3S — CID 4926717

IUPAC2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cc(C)ccc1O
InChIInChI=1S/C17H18N2O3S/c1-3-22-15-7-5-4-6-12(15)16(21)19-17(23)18-13-10-11(2)8-9-14(13)20/h4-10,20H,3H2,1-2H3,(H2,18,19,21,23)
InChIKeyHNPPGMZVMPIIAH-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.23
Rot. Bonds4

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

2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide (PubChem CID 4926717) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
PubChem CID4926717
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1C(=O)NC(=S)Nc1cc(C)ccc1O
InChIInChI=1S/C17H18N2O3S/c1-3-22-15-7-5-4-6-12(15)16(21)19-17(23)18-13-10-11(2)8-9-14(13)20/h4-10,20H,3H2,1-2H3,(H2,18,19,21,23)
InChIKeyHNPPGMZVMPIIAH-UHFFFAOYSA-N
XLogP3.23
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.23
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-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
N-[(2,5-dimethylphenyl)carbamothioyl]-2-methoxybenzamide
CID 883609
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 4945827
N-[(2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 885156
N-tert-butyl-2-[(2-ethoxybenzoyl)carbamothioylamino]benzamide
CID 4926914
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-pentoxybenzamide
CID 54784782
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
N-[(4-anilinophenyl)carbamothioyl]-2-ethoxybenzamide
CID 4926669
N-[4-[(2-ethoxybenzoyl)carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251773
N-[(2-ethoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944555

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide (CID 4926717) is 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide is CCOc1ccccc1C(=O)NC(=S)Nc1cc(C)ccc1O.
What is the InChIKey of 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide?
The InChIKey is HNPPGMZVMPIIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-22-15-7-5-4-6-12(15)16(21)19-17(23)18-13-10-11(2)8-9-14(13)20/h4-10,20H,3H2,1-2H3,(H2,18,19,21,23).
What are the key properties of 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide?
2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide has a molecular weight of 330.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4926717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).