3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide

C21H15ClN2O2S — CID 3396225

IUPAC3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H15ClN2O2S/c22-19-16-10-3-4-11-17(16)27-20(19)21(26)24-23-18(25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,23,25)(H,24,26)
InChIKeyUBELYNXDRDSQRX-UHFFFAOYSA-N
MW394.88 g/mol
LogP4.71
Rot. Bonds3

About 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide

3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 3396225) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide
PubChem CID3396225
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC Name3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(Cc1cccc2ccccc12)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H15ClN2O2S/c22-19-16-10-3-4-11-17(16)27-20(19)21(26)24-23-18(25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,23,25)(H,24,26)
InChIKeyUBELYNXDRDSQRX-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N'-(2-naphthalen-1-ylacetyl)-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'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide
CID 1010566
3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide
CID 6297669
3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3486238
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
4-chloro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 3396166
3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
4-[2-(3-chloro-1-benzothiophene-2-carbonyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 2803219
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide (CID 3396225) is 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide is O=C(Cc1cccc2ccccc12)NNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is UBELYNXDRDSQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-19-16-10-3-4-11-17(16)27-20(19)21(26)24-23-18(25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 394.88 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 3396225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).