5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide

C16H15F3N2O2S — CID 9418430

IUPAC5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H15F3N2O2S/c1-3-12-9(2)8-13(24-12)15(23)21-20-14(22)10-4-6-11(7-5-10)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCBFOIVKCWUSRBP-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.71
Rot. Bonds3

About 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide (PubChem CID 9418430) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
PubChem CID9418430
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H15F3N2O2S/c1-3-12-9(2)8-13(24-12)15(23)21-20-14(22)10-4-6-11(7-5-10)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCBFOIVKCWUSRBP-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 18163616
5-ethyl-4-methyl-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 9418358
5-ethyl-N'-(3-methoxy-4-methylbenzoyl)-4-methylthiophene-2-carbohydrazide
CID 9091421
5-ethyl-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 55617719
5-ethyl-4-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]thiophene-2-carbohydrazide
CID 9418328
N'-(4-bromo-2-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091418
4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 63190005
3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 4793839
4-butoxy-N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9418410
(5-ethyl-4-methylthiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24543644
N'-(2-chloro-6-fluorobenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9404728
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9157940

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide (CID 9418430) is 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
The InChIKey is CBFOIVKCWUSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-3-12-9(2)8-13(24-12)15(23)21-20-14(22)10-4-6-11(7-5-10)16(17,18)19/h4-8H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide has a molecular weight of 356.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N'-[4-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9418430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).