N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide

C20H15F3N2O2S — CID 2740150

IUPACN'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1
InChIInChI=1S/C20H15F3N2O2S/c1-12-7-9-14(10-8-12)18(26)24-25-19(27)16-11-15(13-5-3-2-4-6-13)17(28-16)20(21,22)23/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyIUFWQXZZDSNLEY-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.82
Rot. Bonds3

About N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide

N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide (PubChem CID 2740150) has the molecular formula C20H15F3N2O2S and a molecular weight of 404.41 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide
PubChem CID2740150
Molecular FormulaC20H15F3N2O2S
Molecular Weight404.41 g/mol
Exact Mass404.08
IUPAC NameN'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1
InChIInChI=1S/C20H15F3N2O2S/c1-12-7-9-14(10-8-12)18(26)24-25-19(27)16-11-15(13-5-3-2-4-6-13)17(28-16)20(21,22)23/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyIUFWQXZZDSNLEY-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N'-benzoylthiophene-2-carbohydrazide
CID 790437
1-Benzothiophene-2-carbohydrazide
CID 519437
4-Cyano-3-methyl-5-(4-methylphenyl)-2-thiophenecarbohydrazide
CID 793865
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
4-methyl-N'-[(1Z)-3-oxo-3-thien-2-yl-1-(trifluoromethyl)propylidene]benzohydrazide
CID 5958262
N'-(2-fluorophenyl)sulfonyl-3-thiophen-2-ylbenzohydrazide
CID 124132176
N'-(benzenesulfonyl)-3-thiophen-2-ylbenzohydrazide
CID 124132186
N'-(benzenesulfonyl)-3-thiophen-3-ylbenzohydrazide
CID 135298548

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide (CID 2740150) is N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide?
The InChIKey is IUFWQXZZDSNLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2S/c1-12-7-9-14(10-8-12)18(26)24-25-19(27)16-11-15(13-5-3-2-4-6-13)17(28-16)20(21,22)23/h2-11H,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide?
N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide has a molecular weight of 404.41 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2740150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).