N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide

C16H14N2O2S — CID 51309523

IUPACN'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1Cc2ccccc2S1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15(11-6-2-1-3-7-11)17-18-16(20)14-10-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,17,19)(H,18,20)
InChIKeyKTWRDKFZWJEFNF-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.16
Rot. Bonds2

About N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide

N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide (PubChem CID 51309523) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide
PubChem CID51309523
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1Cc2ccccc2S1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15(11-6-2-1-3-7-11)17-18-16(20)14-10-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,17,19)(H,18,20)
InChIKeyKTWRDKFZWJEFNF-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
(4-benzamidophenyl) 2,3-dihydro-1-benzothiophene-2-carboxylate
CID 55487595
N-[1-(2,3-dihydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]benzamide
CID 51315508
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(dicyclopropylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42938008
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylbutanoic acid
CID 43354086
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103772752
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxybutanoic acid
CID 43170318
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4-hydroxybutanoic acid
CID 61243493
(2S)-N-(4-methylcyclohexyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51616605
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 43500635

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide (CID 51309523) is N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide is O=C(NNC(=O)C1Cc2ccccc2S1)c1ccccc1.
What is the InChIKey of N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide?
The InChIKey is KTWRDKFZWJEFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(11-6-2-1-3-7-11)17-18-16(20)14-10-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,17,19)(H,18,20).
What are the key properties of N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide?
N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide has a molecular weight of 298.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2,3-dihydro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 51309523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).