N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

C17H15N3O3S — CID 3829836

IUPACN'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2sccc2-n2cccc2)c1
InChIInChI=1S/C17H15N3O3S/c1-23-13-6-4-5-12(11-13)16(21)18-19-17(22)15-14(7-10-24-15)20-8-2-3-9-20/h2-11H,1H3,(H,18,21)(H,19,22)
InChIKeyZOFJFMNGYUSWIJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.62
Rot. Bonds4

About N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 3829836) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID3829836
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)c2sccc2-n2cccc2)c1
InChIInChI=1S/C17H15N3O3S/c1-23-13-6-4-5-12(11-13)16(21)18-19-17(22)15-14(7-10-24-15)20-8-2-3-9-20/h2-11H,1H3,(H,18,21)(H,19,22)
InChIKeyZOFJFMNGYUSWIJ-UHFFFAOYSA-N
XLogP2.62
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.62
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'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 3829836) is N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is COc1cccc(C(=O)NNC(=O)c2sccc2-n2cccc2)c1.
What is the InChIKey of N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is ZOFJFMNGYUSWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-13-6-4-5-12(11-13)16(21)18-19-17(22)15-14(7-10-24-15)20-8-2-3-9-20/h2-11H,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 341.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 3829836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).