3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide

C22H15ClN2O2S — CID 6297669

IUPAC3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide
SMILESO=C(/C=C/c1cccc2ccccc12)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H15ClN2O2S/c23-20-17-10-3-4-11-18(17)28-21(20)22(27)25-24-19(26)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,24,26)(H,25,27)/b13-12+
InChIKeyUZVOFGFMMZGSDE-OUKQBFOZSA-N
MW406.89 g/mol
LogP5.18
Rot. Bonds3

About 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide

3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide (PubChem CID 6297669) has the molecular formula C22H15ClN2O2S and a molecular weight of 406.89 g/mol. Its IUPAC name is 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide
PubChem CID6297669
Molecular FormulaC22H15ClN2O2S
Molecular Weight406.89 g/mol
Exact Mass406.05
IUPAC Name3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide
SMILESO=C(/C=C/c1cccc2ccccc12)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H15ClN2O2S/c23-20-17-10-3-4-11-18(17)28-21(20)22(27)25-24-19(26)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,24,26)(H,25,27)/b13-12+
InChIKeyUZVOFGFMMZGSDE-OUKQBFOZSA-N
XLogP5.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 55.18
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 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-N'-[3-(2-methoxyphenyl)prop-2-enoyl]-1-benzothiophene-2-carbohydrazide
CID 5109357
4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 2803219
3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide
CID 3396225
3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide
CID 1010566
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
(Z)-N-(1,3-benzothiazol-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 92898547
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
CID 5191128
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide (CID 6297669) is 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide is O=C(/C=C/c1cccc2ccccc12)NNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
The InChIKey is UZVOFGFMMZGSDE-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H15ClN2O2S/c23-20-17-10-3-4-11-18(17)28-21(20)22(27)25-24-19(26)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13H,(H,24,26)(H,25,27)/b13-12+.
What are the key properties of 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide has a molecular weight of 406.89 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 6297669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).