4-ethoxy-N-(pentylcarbamothioyl)benzamide

C15H22N2O2S — CID 18822939

IUPAC4-ethoxy-N-(pentylcarbamothioyl)benzamide
SMILESCCCCCNC(=S)NC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H22N2O2S/c1-3-5-6-11-16-15(20)17-14(18)12-7-9-13(10-8-12)19-4-2/h7-10H,3-6,11H2,1-2H3,(H2,16,17,18,20)
InChIKeyVZBWUOUXAWRNHG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.88
Rot. Bonds7

About 4-ethoxy-N-(pentylcarbamothioyl)benzamide

4-ethoxy-N-(pentylcarbamothioyl)benzamide (PubChem CID 18822939) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-ethoxy-N-(pentylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(pentylcarbamothioyl)benzamide
PubChem CID18822939
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-ethoxy-N-(pentylcarbamothioyl)benzamide
SMILESCCCCCNC(=S)NC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H22N2O2S/c1-3-5-6-11-16-15(20)17-14(18)12-7-9-13(10-8-12)19-4-2/h7-10H,3-6,11H2,1-2H3,(H2,16,17,18,20)
InChIKeyVZBWUOUXAWRNHG-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
CID 2218771
N-decyl-4-ethoxybenzamide
CID 4123784
N-(ethylcarbamothioyl)-4-hexoxybenzamide
CID 4934176
N-[2-(diethylamino)ethylcarbamothioyl]-4-hexoxybenzamide
CID 17218552
3,4-dimethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822911
1-butyl-3-[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]thiourea
CID 8626364
(E)-3-(4-ethoxyphenyl)-N-(hexadecylcarbamothioyl)prop-2-enamide
CID 17227320
4-butoxy-N-hexadecylbenzamide
CID 4936106
3,5-dimethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822912
N-(heptylcarbamothioyl)-4-nitrobenzamide
CID 3480658
4-(2-methoxyethoxy)-N-(2-methoxyethylcarbamothioyl)benzamide
CID 17353811
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(pentylcarbamothioyl)benzamide?
The IUPAC name of 4-ethoxy-N-(pentylcarbamothioyl)benzamide (CID 18822939) is 4-ethoxy-N-(pentylcarbamothioyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(pentylcarbamothioyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(pentylcarbamothioyl)benzamide is CCCCCNC(=S)NC(=O)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-(pentylcarbamothioyl)benzamide?
The InChIKey is VZBWUOUXAWRNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-5-6-11-16-15(20)17-14(18)12-7-9-13(10-8-12)19-4-2/h7-10H,3-6,11H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 4-ethoxy-N-(pentylcarbamothioyl)benzamide?
4-ethoxy-N-(pentylcarbamothioyl)benzamide has a molecular weight of 294.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(pentylcarbamothioyl)benzamide is sourced from PubChem (CID 18822939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).