2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide

C20H26N2O6S — CID 8505175

IUPAC2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O6S/c1-20(2,3)14-6-8-15(9-7-14)28-13-19(23)21-22-29(24,25)16-10-11-17(26-4)18(12-16)27-5/h6-12,22H,13H2,1-5H3,(H,21,23)
InChIKeyZVDDKXCYIOWLJS-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.39
Rot. Bonds8

About 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide

2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide (PubChem CID 8505175) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
PubChem CID8505175
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC Name2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H26N2O6S/c1-20(2,3)14-6-8-15(9-7-14)28-13-19(23)21-22-29(24,25)16-10-11-17(26-4)18(12-16)27-5/h6-12,22H,13H2,1-5H3,(H,21,23)
InChIKeyZVDDKXCYIOWLJS-UHFFFAOYSA-N
XLogP2.39
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
CID 8506530
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
N-[5-[2-(4-tert-butylphenoxy)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8801525
[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527
2-(3,5-dimethylphenoxy)-N'-(2-methoxy-5-methylphenyl)sulfonylacetohydrazide
CID 8515553
N-(2,5-dimethoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 2086441

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide (CID 8505175) is 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide is COc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide?
The InChIKey is ZVDDKXCYIOWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-20(2,3)14-6-8-15(9-7-14)28-13-19(23)21-22-29(24,25)16-10-11-17(26-4)18(12-16)27-5/h6-12,22H,13H2,1-5H3,(H,21,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide?
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide has a molecular weight of 422.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 8505175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).