N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide

C22H20N2O2S — CID 2728104

IUPACN'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
SMILESO=C(C=Cc1ccccc1)NNC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C22H20N2O2S/c25-21(14-13-17-7-2-1-3-8-17)23-24-22(26)16-27-15-19-11-6-10-18-9-4-5-12-20(18)19/h1-14H,15-16H2,(H,23,25)(H,24,26)
InChIKeyUGULOVANSNRDTQ-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.93
Rot. Bonds6

About N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide

N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide (PubChem CID 2728104) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
PubChem CID2728104
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide
SMILESO=C(C=Cc1ccccc1)NNC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C22H20N2O2S/c25-21(14-13-17-7-2-1-3-8-17)23-24-22(26)16-27-15-19-11-6-10-18-9-4-5-12-20(18)19/h1-14H,15-16H2,(H,23,25)(H,24,26)
InChIKeyUGULOVANSNRDTQ-UHFFFAOYSA-N
XLogP3.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide 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-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide?
The IUPAC name of N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide (CID 2728104) is N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide.
What is the SMILES notation for N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide?
The canonical SMILES for N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide is O=C(C=Cc1ccccc1)NNC(=O)CSCc1cccc2ccccc12.
What is the InChIKey of N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide?
The InChIKey is UGULOVANSNRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-21(14-13-17-7-2-1-3-8-17)23-24-22(26)16-27-15-19-11-6-10-18-9-4-5-12-20(18)19/h1-14H,15-16H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide?
N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide has a molecular weight of 376.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]-3-phenylprop-2-enehydrazide is sourced from PubChem (CID 2728104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).