N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide

C16H12Cl2N2O2S — CID 166642413

IUPACN'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccc2sc(C(=O)NNc3cc(Cl)cc(Cl)c3)cc2c1
InChIInChI=1S/C16H12Cl2N2O2S/c1-22-13-2-3-14-9(4-13)5-15(23-14)16(21)20-19-12-7-10(17)6-11(18)8-12/h2-8,19H,1H3,(H,20,21)
InChIKeyZDJFIKFQLKJRBA-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.97
Rot. Bonds4

About N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide

N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide (PubChem CID 166642413) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide
PubChem CID166642413
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC NameN'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide
SMILESCOc1ccc2sc(C(=O)NNc3cc(Cl)cc(Cl)c3)cc2c1
InChIInChI=1S/C16H12Cl2N2O2S/c1-22-13-2-3-14-9(4-13)5-15(23-14)16(21)20-19-12-7-10(17)6-11(18)8-12/h2-8,19H,1H3,(H,20,21)
InChIKeyZDJFIKFQLKJRBA-UHFFFAOYSA-N
XLogP4.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.97
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

N-[3-chloro-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-5-(2-methylsulfonylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 131983735
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
N'-(3-chlorophenyl)-2-hydroxy-4-methoxybenzohydrazide
CID 43054057
N-[3-chloro-5-[3-methoxy-5-(trifluoromethoxy)phenyl]phenyl]-5-(methanesulfonamido)-1-benzothiophene-2-carboxamide
CID 121267171
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
4-tert-butyl-N'-(3,5-dichlorophenyl)benzohydrazide
CID 2813076
2,5-dimethoxy-1-benzothiophene
CID 69101358
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137
N-[(4-methoxyphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 8572592
(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
CID 154359392
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-5-methoxy-1-benzothiophene-2-carboxamide
CID 139937755

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide (CID 166642413) is N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide is COc1ccc2sc(C(=O)NNc3cc(Cl)cc(Cl)c3)cc2c1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide?
The InChIKey is ZDJFIKFQLKJRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c1-22-13-2-3-14-9(4-13)5-15(23-14)16(21)20-19-12-7-10(17)6-11(18)8-12/h2-8,19H,1H3,(H,20,21).
What are the key properties of N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide?
N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide has a molecular weight of 367.26 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-5-methoxy-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 166642413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).