2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

C16H17N3O4S — CID 4799991

IUPAC2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C16H17N3O4S/c1-2-23-12-7-4-3-6-11(12)15(21)17-10-14(20)18-19-16(22)13-8-5-9-24-13/h3-9H,2,10H2,1H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyUSHNKLADWNCBGE-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.34
Rot. Bonds6

About 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (PubChem CID 4799991) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
PubChem CID4799991
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C16H17N3O4S/c1-2-23-12-7-4-3-6-11(12)15(21)17-10-14(20)18-19-16(22)13-8-5-9-24-13/h3-9H,2,10H2,1H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyUSHNKLADWNCBGE-UHFFFAOYSA-N
XLogP1.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.34
H-Bond Donors ≤ 53
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 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide (CID 4799991) is 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1.
What is the InChIKey of 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
The InChIKey is USHNKLADWNCBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-2-23-12-7-4-3-6-11(12)15(21)17-10-14(20)18-19-16(22)13-8-5-9-24-13/h3-9H,2,10H2,1H3,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide?
2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide has a molecular weight of 347.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 4799991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).