N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

C24H24N4O6S — CID 24981711

IUPACN-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H24N4O6S/c1-16-6-8-17(9-7-16)23(30)25-15-22(29)26-27-24(31)18-4-3-5-21(14-18)35(32,33)28-19-10-12-20(34-2)13-11-19/h3-14,28H,15H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyDCIMETNPLZTPII-UHFFFAOYSA-N
MW496.55 g/mol
LogP2.00
Rot. Bonds8

About N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide

N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 24981711) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
PubChem CID24981711
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC NameN-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C24H24N4O6S/c1-16-6-8-17(9-7-16)23(30)25-15-22(29)26-27-24(31)18-4-3-5-21(14-18)35(32,33)28-19-10-12-20(34-2)13-11-19/h3-14,28H,15H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyDCIMETNPLZTPII-UHFFFAOYSA-N
XLogP2.00
TPSA142.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide (CID 24981711) is N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is DCIMETNPLZTPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-16-6-8-17(9-7-16)23(30)25-15-22(29)26-27-24(31)18-4-3-5-21(14-18)35(32,33)28-19-10-12-20(34-2)13-11-19/h3-14,28H,15H2,1-2H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 496.55 g/mol, XLogP of 2.00, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 24981711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).