N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide

C14H14N2O4S — CID 793924

IUPACN'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2cccs2)c1
InChIInChI=1S/C14H14N2O4S/c1-19-10-4-2-5-11(8-10)20-9-13(17)15-16-14(18)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyUCIZPUSSHKVTFM-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.60
Rot. Bonds5

About N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide

N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide (PubChem CID 793924) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide
PubChem CID793924
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide
SMILESCOc1cccc(OCC(=O)NNC(=O)c2cccs2)c1
InChIInChI=1S/C14H14N2O4S/c1-19-10-4-2-5-11(8-10)20-9-13(17)15-16-14(18)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyUCIZPUSSHKVTFM-UHFFFAOYSA-N
XLogP1.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide (CID 793924) is N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide is COc1cccc(OCC(=O)NNC(=O)c2cccs2)c1.
What is the InChIKey of N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide?
The InChIKey is UCIZPUSSHKVTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-10-4-2-5-11(8-10)20-9-13(17)15-16-14(18)12-6-3-7-21-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide?
N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide has a molecular weight of 306.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenoxy)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 793924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).