N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide

C14H11F3N2O2S — CID 3327073

IUPACN'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)10-5-3-9(4-6-10)13(21)19-18-12(20)8-11-2-1-7-22-11/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyYTVBDCQSYHRYLI-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.77
Rot. Bonds3

About N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide

N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide (PubChem CID 3327073) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
PubChem CID3327073
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC NameN'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)10-5-3-9(4-6-10)13(21)19-18-12(20)8-11-2-1-7-22-11/h1-7H,8H2,(H,18,20)(H,19,21)
InChIKeyYTVBDCQSYHRYLI-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.77
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

4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580
(E)-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 71696204
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N'-[1-(4-hydroxyphenyl)ethenyl]-2-thiophen-2-ylacetohydrazide
CID 4623836
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-(trifluoromethyl)benzoate
CID 4559758
1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
CID 146008691
N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 30859496
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(3S)-4-methyl-3-[4-(trifluoromethyl)anilino]pentyl]-2-thiophen-2-ylacetamide
CID 58834472
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177

Frequently Asked Questions

What is the IUPAC name of N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide (CID 3327073) is N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide is O=C(Cc1cccs1)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide?
The InChIKey is YTVBDCQSYHRYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c15-14(16,17)10-5-3-9(4-6-10)13(21)19-18-12(20)8-11-2-1-7-22-11/h1-7H,8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide?
N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide has a molecular weight of 328.32 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 N'-(2-thiophen-2-ylacetyl)-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 3327073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).