N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide

C24H20N2O3S — CID 8881063

IUPACN'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O3S/c27-23(18-11-5-2-6-12-18)25-26-24(28)22-20(19-13-7-8-14-21(19)29-22)16-30-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKeyJMJGKYISYNWSJZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.94
Rot. Bonds6

About N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide

N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide (PubChem CID 8881063) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
PubChem CID8881063
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC NameN'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O3S/c27-23(18-11-5-2-6-12-18)25-26-24(28)22-20(19-13-7-8-14-21(19)29-22)16-30-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKeyJMJGKYISYNWSJZ-UHFFFAOYSA-N
XLogP4.94
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.94
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-benzhydryl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 2451090
N'-[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 5031359
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate
CID 8526834
phenyl-[3-(phenylsulfanylmethyl)-1-benzofuran-2-yl]methanone
CID 1476424
N-(2-benzamidooxyethyl)-3-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 91471027
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide
CID 17479827
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
N-(3-acetylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 2679006
3-(cyclohexylsulfanylmethyl)-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 7945777
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide (CID 8881063) is N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is JMJGKYISYNWSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-23(18-11-5-2-6-12-18)25-26-24(28)22-20(19-13-7-8-14-21(19)29-22)16-30-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,27)(H,26,28).
What are the key properties of N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide?
N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 416.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-(benzylsulfanylmethyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 8881063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).