4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide

C17H15F3N2O2S — CID 1242400

IUPAC4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O2S/c1-2-24-12-9-7-11(8-10-12)15(23)22-16(25)21-14-6-4-3-5-13(14)17(18,19)20/h3-10H,2H2,1H3,(H2,21,22,23,25)
InChIKeyIVKGNQDQHOSDLJ-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.23
Rot. Bonds4

About 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide

4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide (PubChem CID 1242400) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
PubChem CID1242400
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC Name4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
SMILESCCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O2S/c1-2-24-12-9-7-11(8-10-12)15(23)22-16(25)21-14-6-4-3-5-13(14)17(18,19)20/h3-10H,2H2,1H3,(H2,21,22,23,25)
InChIKeyIVKGNQDQHOSDLJ-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.23
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

3,4,5-triethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1337775
4-methyl-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 880639
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3410064
4-fluoro-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 881642
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35653450
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
4-ethoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 46760852
N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 4317523
3-[(4-ethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
CID 4507405
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid
CID 1327269
3-[(4-ethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid
CID 28701519
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide (CID 1242400) is 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide is CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
The InChIKey is IVKGNQDQHOSDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c1-2-24-12-9-7-11(8-10-12)15(23)22-16(25)21-14-6-4-3-5-13(14)17(18,19)20/h3-10H,2H2,1H3,(H2,21,22,23,25).
What are the key properties of 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide?
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide has a molecular weight of 368.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 1242400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).