N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C24H22N4O8S — CID 4851184

IUPACN-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C24H22N4O8S/c1-34-18-8-6-17(7-9-18)28-37(32,33)19-4-2-3-15(11-19)24(31)27-26-22(29)13-25-23(30)16-5-10-20-21(12-16)36-14-35-20/h2-12,28H,13-14H2,1H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyWZMODINTVLVSCF-UHFFFAOYSA-N
MW526.53 g/mol
LogP1.42
Rot. Bonds8

About N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 4851184) has the molecular formula C24H22N4O8S and a molecular weight of 526.53 g/mol. Its IUPAC name is N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID4851184
Molecular FormulaC24H22N4O8S
Molecular Weight526.53 g/mol
Exact Mass526.12
IUPAC NameN-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)c2)cc1
InChIInChI=1S/C24H22N4O8S/c1-34-18-8-6-17(7-9-18)28-37(32,33)19-4-2-3-15(11-19)24(31)27-26-22(29)13-25-23(30)16-5-10-20-21(12-16)36-14-35-20/h2-12,28H,13-14H2,1H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyWZMODINTVLVSCF-UHFFFAOYSA-N
XLogP1.42
TPSA161.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.53
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 42910311
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 9224817
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163346
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 30828589
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17486112
2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
CID 30822325

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 4851184) is N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)c2)cc1.
What is the InChIKey of N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WZMODINTVLVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O8S/c1-34-18-8-6-17(7-9-18)28-37(32,33)19-4-2-3-15(11-19)24(31)27-26-22(29)13-25-23(30)16-5-10-20-21(12-16)36-14-35-20/h2-12,28H,13-14H2,1H3,(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]-1,3-benzodioxole-5-carboxamide?
N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 526.53 g/mol, XLogP of 1.42, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4851184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).