N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide

C14H14N2O3S — CID 687575

IUPACN'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O3S/c1-19-11-6-4-10(5-7-11)9-13(17)15-16-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyGIJYDUHUFAYRDC-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.76
Rot. Bonds4

About N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide

N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide (PubChem CID 687575) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
PubChem CID687575
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14N2O3S/c1-19-11-6-4-10(5-7-11)9-13(17)15-16-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyGIJYDUHUFAYRDC-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide (CID 687575) is N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide is COc1ccc(CC(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is GIJYDUHUFAYRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-19-11-6-4-10(5-7-11)9-13(17)15-16-14(18)12-3-2-8-20-12/h2-8H,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 290.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 687575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).