N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide

C24H19N3O2S — CID 123605204

IUPACN-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NN=Cc1csc2ccccc12
InChIInChI=1S/C24H19N3O2S/c28-23(27-26-14-20-16-30-22-9-5-4-8-21(20)22)15-25-24(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,25,29)(H,27,28)
InChIKeyZWJYRLVJZUWTKO-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.45
Rot. Bonds6

About N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide

N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 123605204) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide
PubChem CID123605204
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NN=Cc1csc2ccccc12
InChIInChI=1S/C24H19N3O2S/c28-23(27-26-14-20-16-30-22-9-5-4-8-21(20)22)15-25-24(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,25,29)(H,27,28)
InChIKeyZWJYRLVJZUWTKO-UHFFFAOYSA-N
XLogP4.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-bromobenzamide
CID 123741387
N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 123707626
N-[2-[(2E)-2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;ethane
CID 144580150
N-[2-[(2E)-2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methoxybenzamide
CID 73332611
N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-6-methoxynaphthalene-2-carboxamide
CID 123382961
N-[(E)-1-benzothiophen-3-ylmethylideneamino]-2-formamidoacetamide
CID 144580210
N-[2-[2-[2-[(2-benzamidoacetyl)hydrazinylidene]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4082934
N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
N-[2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3859843

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide (CID 123605204) is N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NN=Cc1csc2ccccc12.
What is the InChIKey of N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is ZWJYRLVJZUWTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-23(27-26-14-20-16-30-22-9-5-4-8-21(20)22)15-25-24(29)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-14,16H,15H2,(H,25,29)(H,27,28).
What are the key properties of N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzothiophen-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 123605204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).