N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide

C24H20N2O5S — CID 55789468

IUPACN'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)oc2ccccc12
InChIInChI=1S/C24H20N2O5S/c1-16-20-12-5-6-13-21(20)31-22(16)24(28)26-25-23(27)18-9-7-8-17(14-18)15-32(29,30)19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyNPUXXNVEEIXPRK-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.79
Rot. Bonds5

About N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 55789468) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID55789468
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC NameN'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)oc2ccccc12
InChIInChI=1S/C24H20N2O5S/c1-16-20-12-5-6-13-21(20)31-22(16)24(28)26-25-23(27)18-9-7-8-17(14-18)15-32(29,30)19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyNPUXXNVEEIXPRK-UHFFFAOYSA-N
XLogP3.79
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 22109365
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-(benzenesulfonylmethyl)-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 46490610
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 27685815
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N-methyl-3-[[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]amino]methyl]benzamide
CID 97230701

Frequently Asked Questions

What is the IUPAC name of N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 55789468) is N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)oc2ccccc12.
What is the InChIKey of N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is NPUXXNVEEIXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-16-20-12-5-6-13-21(20)31-22(16)24(28)26-25-23(27)18-9-7-8-17(14-18)15-32(29,30)19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 448.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 55789468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).