3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide

C25H26N4O8S — CID 42910311

IUPAC3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3cc(OC)cc(OC)c3)c2)cc1
InChIInChI=1S/C25H26N4O8S/c1-35-19-9-7-18(8-10-19)29-38(33,34)22-6-4-5-16(13-22)25(32)28-27-23(30)15-26-24(31)17-11-20(36-2)14-21(12-17)37-3/h4-14,29H,15H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyZCGQUHHTDNWRMR-UHFFFAOYSA-N
MW542.57 g/mol
LogP1.70
Rot. Bonds10

About 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide

3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 42910311) has the molecular formula C25H26N4O8S and a molecular weight of 542.57 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID42910311
Molecular FormulaC25H26N4O8S
Molecular Weight542.57 g/mol
Exact Mass542.15
IUPAC Name3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3cc(OC)cc(OC)c3)c2)cc1
InChIInChI=1S/C25H26N4O8S/c1-35-19-9-7-18(8-10-19)29-38(33,34)22-6-4-5-16(13-22)25(32)28-27-23(30)15-26-24(31)17-11-20(36-2)14-21(12-17)37-3/h4-14,29H,15H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyZCGQUHHTDNWRMR-UHFFFAOYSA-N
XLogP1.70
TPSA161.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.57
LogP ≤ 51.70
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

N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 4851184
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
CID 30822325
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 30828589
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide (CID 42910311) is 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CNC(=O)c3cc(OC)cc(OC)c3)c2)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is ZCGQUHHTDNWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O8S/c1-35-19-9-7-18(8-10-19)29-38(33,34)22-6-4-5-16(13-22)25(32)28-27-23(30)15-26-24(31)17-11-20(36-2)14-21(12-17)37-3/h4-14,29H,15H2,1-3H3,(H,26,31)(H,27,30)(H,28,32).
What are the key properties of 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide?
3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 542.57 g/mol, XLogP of 1.70, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 42910311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).