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

C14H14N2O3S — CID 3115419

IUPACN'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C14H14N2O3S/c1-10(19-11-6-3-2-4-7-11)13(17)15-16-14(18)12-8-5-9-20-12/h2-10H,1H3,(H,15,17)(H,16,18)
InChIKeyJJTKYLAEAMWEJS-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.98
Rot. Bonds4

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

N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide (PubChem CID 3115419) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide
PubChem CID3115419
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C14H14N2O3S/c1-10(19-11-6-3-2-4-7-11)13(17)15-16-14(18)12-8-5-9-20-12/h2-10H,1H3,(H,15,17)(H,16,18)
InChIKeyJJTKYLAEAMWEJS-UHFFFAOYSA-N
XLogP1.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide (CID 3115419) is N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide is CC(Oc1ccccc1)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide?
The InChIKey is JJTKYLAEAMWEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10(19-11-6-3-2-4-7-11)13(17)15-16-14(18)12-8-5-9-20-12/h2-10H,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide?
N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide has a molecular weight of 290.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenoxypropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 3115419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).