N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide

C19H24N2O6S — CID 2797423

IUPACN'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S/c1-13-5-8-15(9-6-13)28(23,24)21-20-18(22)10-7-14-11-16(25-2)19(27-4)17(12-14)26-3/h5-6,8-9,11-12,21H,7,10H2,1-4H3,(H,20,22)
InChIKeyDTNMNQUJAHZGHK-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.96
Rot. Bonds9

About N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide

N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide (PubChem CID 2797423) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
PubChem CID2797423
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S/c1-13-5-8-15(9-6-13)28(23,24)21-20-18(22)10-7-14-11-16(25-2)19(27-4)17(12-14)26-3/h5-6,8-9,11-12,21H,7,10H2,1-4H3,(H,20,22)
InChIKeyDTNMNQUJAHZGHK-UHFFFAOYSA-N
XLogP1.96
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
CID 25208609
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9262362
4-methyl-N-[1-phenyl-3-(3,4,5-trimethoxyphenyl)propyl]benzenesulfonamide
CID 156775716
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
2-(6-bromo-2-methoxynaphthalen-1-yl)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 4729780
N-(3-sulfamoylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9413193
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide (CID 2797423) is N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide is COc1cc(CCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The InChIKey is DTNMNQUJAHZGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-13-5-8-15(9-6-13)28(23,24)21-20-18(22)10-7-14-11-16(25-2)19(27-4)17(12-14)26-3/h5-6,8-9,11-12,21H,7,10H2,1-4H3,(H,20,22).
What are the key properties of N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide has a molecular weight of 408.48 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 2797423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).