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

C21H15ClN2O3S — CID 1010566

IUPAC3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H15ClN2O3S/c22-19-16-7-3-4-8-17(16)28-20(19)21(26)24-23-18(25)12-27-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,23,25)(H,24,26)
InChIKeyCTRUXBFANDXEGI-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.55
Rot. Bonds4

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

3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 1010566) has the molecular formula C21H15ClN2O3S and a molecular weight of 410.88 g/mol. Its IUPAC name is 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide
PubChem CID1010566
Molecular FormulaC21H15ClN2O3S
Molecular Weight410.88 g/mol
Exact Mass410.05
IUPAC Name3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C21H15ClN2O3S/c22-19-16-7-3-4-8-17(16)28-20(19)21(26)24-23-18(25)12-27-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,23,25)(H,24,26)
InChIKeyCTRUXBFANDXEGI-UHFFFAOYSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3486238
3-chloro-N'-[2-(4-nitrophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3510207
3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide
CID 3396225
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-chloro-1-benzothiophene-2-carbohydrazide
CID 3328338
3-chloro-6-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 4033326
3-chloro-N'-[2-(2,4-ditert-butylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 17356742
2-[[3-chloro-2-[[(2-chloroacetyl)amino]carbamoyl]-1-benzothiophen-6-yl]oxy]-N-(2-fluorophenyl)acetamide
CID 71657252
N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 4509036
3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4933136
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
3-chloro-N'-[3-(2-methylpropoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17140420
3-chloro-N'-[(E)-3-naphthalen-1-ylprop-2-enoyl]-1-benzothiophene-2-carbohydrazide
CID 6297669

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide (CID 1010566) is 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is CTRUXBFANDXEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3S/c22-19-16-7-3-4-8-17(16)28-20(19)21(26)24-23-18(25)12-27-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 410.88 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 1010566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).