3-methoxy-N-(pentylcarbamothioyl)benzamide

C14H20N2O2S — CID 18822983

IUPAC3-methoxy-N-(pentylcarbamothioyl)benzamide
SMILESCCCCCNC(=S)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2S/c1-3-4-5-9-15-14(19)16-13(17)11-7-6-8-12(10-11)18-2/h6-8,10H,3-5,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyZVCYDYYUAZNNKV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.49
Rot. Bonds6

About 3-methoxy-N-(pentylcarbamothioyl)benzamide

3-methoxy-N-(pentylcarbamothioyl)benzamide (PubChem CID 18822983) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-methoxy-N-(pentylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(pentylcarbamothioyl)benzamide
PubChem CID18822983
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-methoxy-N-(pentylcarbamothioyl)benzamide
SMILESCCCCCNC(=S)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2S/c1-3-4-5-9-15-14(19)16-13(17)11-7-6-8-12(10-11)18-2/h6-8,10H,3-5,9H2,1-2H3,(H2,15,16,17,19)
InChIKeyZVCYDYYUAZNNKV-UHFFFAOYSA-N
XLogP2.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.49
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

3,5-dimethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822912
3-methoxy-N-tridecylbenzamide
CID 139819898
N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 17143039
3,4-dimethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822911
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-octadecanoylbenzamide
CID 142668969
1-(3-methoxyphenyl)-3-pentylthiourea
CID 8619704
4-ethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822939
1-(3-methoxyphenyl)-3-nonylthiourea
CID 19651092
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(pentylcarbamothioyl)benzamide?
The IUPAC name of 3-methoxy-N-(pentylcarbamothioyl)benzamide (CID 18822983) is 3-methoxy-N-(pentylcarbamothioyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(pentylcarbamothioyl)benzamide?
The canonical SMILES for 3-methoxy-N-(pentylcarbamothioyl)benzamide is CCCCCNC(=S)NC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-(pentylcarbamothioyl)benzamide?
The InChIKey is ZVCYDYYUAZNNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-4-5-9-15-14(19)16-13(17)11-7-6-8-12(10-11)18-2/h6-8,10H,3-5,9H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 3-methoxy-N-(pentylcarbamothioyl)benzamide?
3-methoxy-N-(pentylcarbamothioyl)benzamide has a molecular weight of 280.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(pentylcarbamothioyl)benzamide is sourced from PubChem (CID 18822983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).