N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C16H17N3O3S — CID 46495187

IUPACN-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(12-5-7-13(22-2)8-6-12)18-19-15(20)10-17-16(21)14-4-3-9-23-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-11+
InChIKeyFONDUNJVVLJZRU-WOJGMQOQSA-N
MW331.40 g/mol
LogP2.03
Rot. Bonds6

About N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 46495187) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID46495187
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(12-5-7-13(22-2)8-6-12)18-19-15(20)10-17-16(21)14-4-3-9-23-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-11+
InChIKeyFONDUNJVVLJZRU-WOJGMQOQSA-N
XLogP2.03
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 46495187) is N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is FONDUNJVVLJZRU-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(12-5-7-13(22-2)8-6-12)18-19-15(20)10-17-16(21)14-4-3-9-23-14/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-11+.
What are the key properties of N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46495187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).