N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide

C13H9F3N2O3S — CID 25225801

IUPACN'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O3S/c14-13(15,16)21-9-4-1-3-8(7-9)11(19)17-18-12(20)10-5-2-6-22-10/h1-7H,(H,17,19)(H,18,20)
InChIKeyRHCFCTCYUWCNKW-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.72
Rot. Bonds3

About N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide

N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide (PubChem CID 25225801) has the molecular formula C13H9F3N2O3S and a molecular weight of 330.29 g/mol. Its IUPAC name is N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
PubChem CID25225801
Molecular FormulaC13H9F3N2O3S
Molecular Weight330.29 g/mol
Exact Mass330.03
IUPAC NameN'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O3S/c14-13(15,16)21-9-4-1-3-8(7-9)11(19)17-18-12(20)10-5-2-6-22-10/h1-7H,(H,17,19)(H,18,20)
InChIKeyRHCFCTCYUWCNKW-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N'-(3-cyanobenzoyl)thiophene-2-carbohydrazide
CID 7979408
N'-[4-[4-[(thiophene-2-carbonylamino)carbamoyl]phenoxy]benzoyl]thiophene-2-carbohydrazide
CID 2204112
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
CID 46539957
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116628410
N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
CID 122163086
N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55447323
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
CID 91817311
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
CID 58753930

Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide (CID 25225801) is N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide is O=C(NNC(=O)c1cccs1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide?
The InChIKey is RHCFCTCYUWCNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3S/c14-13(15,16)21-9-4-1-3-8(7-9)11(19)17-18-12(20)10-5-2-6-22-10/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide?
N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide has a molecular weight of 330.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethoxy)benzoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 25225801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).