N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide

C15H15N3O3S — CID 3108602

IUPACN-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
SMILESCCc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15N3O3S/c1-2-10-5-7-11(8-6-10)16-14(20)15(21)18-17-13(19)12-4-3-9-22-12/h3-9H,2H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyAJEFCDUSMUPVPR-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.71
Rot. Bonds3

About N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide

N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide (PubChem CID 3108602) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
PubChem CID3108602
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
SMILESCCc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C15H15N3O3S/c1-2-10-5-7-11(8-6-10)16-14(20)15(21)18-17-13(19)12-4-3-9-22-12/h3-9H,2H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyAJEFCDUSMUPVPR-UHFFFAOYSA-N
XLogP1.71
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide (CID 3108602) is N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide is CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
The InChIKey is AJEFCDUSMUPVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-10-5-7-11(8-6-10)16-14(20)15(21)18-17-13(19)12-4-3-9-22-12/h3-9H,2H2,1H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide is sourced from PubChem (CID 3108602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).