4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide

C16H16N2O3S — CID 4948819

IUPAC4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-2-21-14-9-3-11(4-10-14)15(20)18-16(22)17-12-5-7-13(19)8-6-12/h3-10,19H,2H2,1H3,(H2,17,18,20,22)
InChIKeyGDGLKQKGLQOQEW-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.92
Rot. Bonds4

About 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide

4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 4948819) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID4948819
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C16H16N2O3S/c1-2-21-14-9-3-11(4-10-14)15(20)18-16(22)17-12-5-7-13(19)8-6-12/h3-10,19H,2H2,1H3,(H2,17,18,20,22)
InChIKeyGDGLKQKGLQOQEW-UHFFFAOYSA-N
XLogP2.92
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
CID 172645991
N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 4060456
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-[(4-hydroxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4948889
4-butan-2-yloxy-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 17141486
1-(4-ethoxyphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 5174149
N-[[4-(2-ethoxyethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17130787
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
N-[(4-methoxyphenyl)carbamothioyl]-4-propoxybenzamide
CID 2283977
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
3-chloro-N-[4-[(4-ethoxybenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629279
N-[(4-hydroxyphenyl)carbamothioyl]-4-methylbenzamide
CID 909226

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide (CID 4948819) is 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide is CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is GDGLKQKGLQOQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-2-21-14-9-3-11(4-10-14)15(20)18-16(22)17-12-5-7-13(19)8-6-12/h3-10,19H,2H2,1H3,(H2,17,18,20,22).
What are the key properties of 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide?
4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 316.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4948819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).