3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide

C23H17ClN2O3S — CID 4933136

IUPAC3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O3S/c24-20-18-8-4-5-9-19(18)30-21(20)23(28)26-25-22(27)16-10-12-17(13-11-16)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)(H,26,28)
InChIKeyQQSHKSMSEWIJSH-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.21
Rot. Bonds5

About 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide

3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 4933136) has the molecular formula C23H17ClN2O3S and a molecular weight of 436.92 g/mol. Its IUPAC name is 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
PubChem CID4933136
Molecular FormulaC23H17ClN2O3S
Molecular Weight436.92 g/mol
Exact Mass436.06
IUPAC Name3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H17ClN2O3S/c24-20-18-8-4-5-9-19(18)30-21(20)23(28)26-25-22(27)16-10-12-17(13-11-16)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)(H,26,28)
InChIKeyQQSHKSMSEWIJSH-UHFFFAOYSA-N
XLogP5.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.21
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'-(4-phenylmethoxybenzoyl)-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-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3486238
3-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17222484
3-chloro-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4928178
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9086470
3-chloro-N'-[2-(4-nitrophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3510207
[2-[(Z)-[[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 6265408
3-chloro-N'-[3-(2-methylpropoxy)benzoyl]-1-benzothiophene-2-carbohydrazide
CID 17140420
3-chloro-N'-(3-methoxy-4-propoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 43004085
3-chloro-N-[2-oxo-2-[2-[5-(phenoxymethyl)furan-2-carbonyl]hydrazinyl]ethyl]-1-benzothiophene-2-carboxamide
CID 31837609
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide (CID 4933136) is 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide is O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is QQSHKSMSEWIJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3S/c24-20-18-8-4-5-9-19(18)30-21(20)23(28)26-25-22(27)16-10-12-17(13-11-16)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,27)(H,26,28).
What are the key properties of 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide?
3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 436.92 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 4933136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).