N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide

C23H17FN2O3S — CID 46510072

IUPACN'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2cccc(F)c2c1COc1ccccc1)c1ccccc1
InChIInChI=1S/C23H17FN2O3S/c24-18-12-7-13-19-20(18)17(14-29-16-10-5-2-6-11-16)21(30-19)23(28)26-25-22(27)15-8-3-1-4-9-15/h1-13H,14H2,(H,25,27)(H,26,28)
InChIKeyNOWLLBSPPJTXML-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.69
Rot. Bonds5

About N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide

N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 46510072) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide
PubChem CID46510072
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC NameN'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1sc2cccc(F)c2c1COc1ccccc1)c1ccccc1
InChIInChI=1S/C23H17FN2O3S/c24-18-12-7-13-19-20(18)17(14-29-16-10-5-2-6-11-16)21(30-19)23(28)26-25-22(27)15-8-3-1-4-9-15/h1-13H,14H2,(H,25,27)(H,26,28)
InChIKeyNOWLLBSPPJTXML-UHFFFAOYSA-N
XLogP4.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.69
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

[4-[4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 30700297
4-fluoro-N-(3-hydroxypropyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 78854502
4-fluoro-N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 55974311
N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 55545447
4-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 42118869
4-fluoro-3-(phenoxymethyl)-N-(1H-1,2,4-triazol-5-yl)-1-benzothiophene-2-carboxamide
CID 30864424
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
CID 18196797
4-fluoro-3-(methoxymethyl)-N'-(4-propan-2-yloxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 24514389
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 31343525
[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78834023
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]methanone
CID 120660147
4-fluoro-3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 55803871

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide (CID 46510072) is N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide is O=C(NNC(=O)c1sc2cccc(F)c2c1COc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is NOWLLBSPPJTXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c24-18-12-7-13-19-20(18)17(14-29-16-10-5-2-6-11-16)21(30-19)23(28)26-25-22(27)15-8-3-1-4-9-15/h1-13H,14H2,(H,25,27)(H,26,28).
What are the key properties of N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide?
N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 420.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 46510072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).