3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide

C17H12Cl2N2O3S — CID 3486238

IUPAC3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H12Cl2N2O3S/c18-10-5-7-11(8-6-10)24-9-14(22)20-21-17(23)16-15(19)12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyROUWDAXKCWVIAM-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.05
Rot. Bonds4

About 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide

3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide (PubChem CID 3486238) has the molecular formula C17H12Cl2N2O3S and a molecular weight of 395.27 g/mol. Its IUPAC name is 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
PubChem CID3486238
Molecular FormulaC17H12Cl2N2O3S
Molecular Weight395.27 g/mol
Exact Mass393.99
IUPAC Name3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C17H12Cl2N2O3S/c18-10-5-7-11(8-6-10)24-9-14(22)20-21-17(23)16-15(19)12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,20,22)(H,21,23)
InChIKeyROUWDAXKCWVIAM-UHFFFAOYSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-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'-[2-(4-nitrophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3510207
3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4933136
N-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide
CID 4509036
3-chloro-N'-[2-(4-chlorophenoxy)propanoyl]-1-benzothiophene-2-carbohydrazide
CID 4944160
N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9085904
3-chloro-6-methoxy-N'-[2-(2-methoxyphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 4033326
3-chloro-N'-(2-naphthalen-1-ylacetyl)-1-benzothiophene-2-carbohydrazide
CID 3396225
3-chloro-N'-[2-(2,4-ditert-butylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 17356742
3-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-benzothiophene-2-carboxamide
CID 32943736
2-[[3-chloro-2-[[(2-chloroacetyl)amino]carbamoyl]-1-benzothiophen-6-yl]oxy]-N-(2-fluorophenyl)acetamide
CID 71657252
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-3-chloro-1-benzothiophene-2-carbohydrazide
CID 3328338

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide (CID 3486238) is 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
The InChIKey is ROUWDAXKCWVIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3S/c18-10-5-7-11(8-6-10)24-9-14(22)20-21-17(23)16-15(19)12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide has a molecular weight of 395.27 g/mol, XLogP of 4.05, 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-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 3486238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).