4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide

C15H15N3OS — CID 2993529

IUPAC4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1
InChIInChI=1S/C15H15N3OS/c1-2-11-5-7-12(8-6-11)14(19)18-15(20)17-13-4-3-9-16-10-13/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyNTXSOAHUSUCZIU-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.77
Rot. Bonds3

About 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide

4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide (PubChem CID 2993529) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide
PubChem CID2993529
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1
InChIInChI=1S/C15H15N3OS/c1-2-11-5-7-12(8-6-11)14(19)18-15(20)17-13-4-3-9-16-10-13/h3-10H,2H2,1H3,(H2,17,18,19,20)
InChIKeyNTXSOAHUSUCZIU-UHFFFAOYSA-N
XLogP2.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 1317508
3-ethoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 835033
4-ethyl-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17099913
ethyl 3-(pyridine-3-carbonylcarbamothioylamino)benzoate
CID 845490
4-ethyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
CID 17099908
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
4-ethyl-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 17100484
N-[(4-butan-2-ylphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099848
N-[(4-ethylphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 815863
methyl 5-ethyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate
CID 19655555
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide?
The IUPAC name of 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide (CID 2993529) is 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide?
The canonical SMILES for 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide is CCc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1.
What is the InChIKey of 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide?
The InChIKey is NTXSOAHUSUCZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-2-11-5-7-12(8-6-11)14(19)18-15(20)17-13-4-3-9-16-10-13/h3-10H,2H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide?
4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide has a molecular weight of 285.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(pyridin-3-ylcarbamothioyl)benzamide is sourced from PubChem (CID 2993529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).