N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide

C11H16N2O2S — CID 3115432

IUPACN'-(2-ethylbutanoyl)thiophene-2-carbohydrazide
SMILESCCC(CC)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-3-8(4-2)10(14)12-13-11(15)9-6-5-7-16-9/h5-8H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFVENQMKHNLGEKS-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.95
Rot. Bonds4

About N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide

N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide (PubChem CID 3115432) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-ethylbutanoyl)thiophene-2-carbohydrazide
PubChem CID3115432
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN'-(2-ethylbutanoyl)thiophene-2-carbohydrazide
SMILESCCC(CC)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C11H16N2O2S/c1-3-8(4-2)10(14)12-13-11(15)9-6-5-7-16-9/h5-8H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyFVENQMKHNLGEKS-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide (CID 3115432) is N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide is CCC(CC)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide?
The InChIKey is FVENQMKHNLGEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-8(4-2)10(14)12-13-11(15)9-6-5-7-16-9/h5-8H,3-4H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide?
N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide has a molecular weight of 240.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylbutanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 3115432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).