N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide

C16H17N3O3S — CID 24979587

IUPACN-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)17-13(12-6-3-2-4-7-12)10-15(21)18-19-16(22)14-8-5-9-23-14/h2-9,13H,10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyRFMLEDFWGOXHPT-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.78
Rot. Bonds5

About N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide

N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide (PubChem CID 24979587) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
PubChem CID24979587
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)NC(CC(=O)NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)17-13(12-6-3-2-4-7-12)10-15(21)18-19-16(22)14-8-5-9-23-14/h2-9,13H,10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyRFMLEDFWGOXHPT-UHFFFAOYSA-N
XLogP1.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
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-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide (CID 24979587) is N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide is CC(=O)NC(CC(=O)NNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
The InChIKey is RFMLEDFWGOXHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(20)17-13(12-6-3-2-4-7-12)10-15(21)18-19-16(22)14-8-5-9-23-14/h2-9,13H,10H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide is sourced from PubChem (CID 24979587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).