4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide

C20H24N2O3S — CID 4934158

IUPAC4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-3-4-5-13-25-18-11-9-15(10-12-18)19(24)22-20(26)21-16-7-6-8-17(23)14-16/h6-12,14,23H,2-5,13H2,1H3,(H2,21,22,24,26)
InChIKeyDKCNPPMFOJTYNL-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.48
Rot. Bonds8

About 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide

4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 4934158) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID4934158
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-3-4-5-13-25-18-11-9-15(10-12-18)19(24)22-20(26)21-16-7-6-8-17(23)14-16/h6-12,14,23H,2-5,13H2,1H3,(H2,21,22,24,26)
InChIKeyDKCNPPMFOJTYNL-UHFFFAOYSA-N
XLogP4.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-heptoxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170023
4-heptoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 17188635
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
N-butyl-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 17197253
N-[(3-hexoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 17094900
N-[(3-butoxyphenyl)carbamothioyl]-4-ethoxybenzamide
CID 17095199
4-tert-butyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide
CID 17138207
4-heptoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide
CID 17122621
N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide
CID 17232208
3-[(4-butoxybenzoyl)carbamothioylamino]benzoate
CID 2296288
N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-pentoxybenzamide
CID 17097408
4-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 4933896

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide (CID 4934158) is 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide is CCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(O)c2)cc1.
What is the InChIKey of 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is DKCNPPMFOJTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-3-4-5-13-25-18-11-9-15(10-12-18)19(24)22-20(26)21-16-7-6-8-17(23)14-16/h6-12,14,23H,2-5,13H2,1H3,(H2,21,22,24,26).
What are the key properties of 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[(3-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4934158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).