N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide

C19H24N2O5S — CID 8506530

IUPACN'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2O5S/c1-19(2,3)14-9-11-15(12-10-14)27(23,24)21-20-18(22)13-26-17-8-6-5-7-16(17)25-4/h5-12,21H,13H2,1-4H3,(H,20,22)
InChIKeyPKNQLMIRKHKQRG-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.38
Rot. Bonds7

About N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide

N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide (PubChem CID 8506530) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
PubChem CID8506530
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide
SMILESCOc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24N2O5S/c1-19(2,3)14-9-11-15(12-10-14)27(23,24)21-20-18(22)13-26-17-8-6-5-7-16(17)25-4/h5-12,21H,13H2,1-4H3,(H,20,22)
InChIKeyPKNQLMIRKHKQRG-UHFFFAOYSA-N
XLogP2.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N'-[4-(trifluoromethyl)phenyl]sulfonylacetohydrazide
CID 8506571
N-[4-[[[2-(2-methoxyphenoxy)acetyl]amino]sulfamoyl]phenyl]acetamide
CID 8506456
2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175
2-(4-tert-butylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4984397
2-(2-methoxyphenoxy)-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylacetohydrazide
CID 8506562
2-(2-fluorophenoxy)-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 8614556
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-methylpropanoate
CID 30886774
N'-(4-acetylphenyl)sulfonyl-2-(2-fluorophenoxy)acetohydrazide
CID 8614591
2-(2-methylphenoxy)-N'-[4-(trifluoromethoxy)phenyl]sulfonylacetohydrazide
CID 8505935
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide?
The IUPAC name of N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide (CID 8506530) is N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide is COc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide?
The InChIKey is PKNQLMIRKHKQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-19(2,3)14-9-11-15(12-10-14)27(23,24)21-20-18(22)13-26-17-8-6-5-7-16(17)25-4/h5-12,21H,13H2,1-4H3,(H,20,22).
What are the key properties of N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide?
N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide has a molecular weight of 392.48 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)sulfonyl-2-(2-methoxyphenoxy)acetohydrazide is sourced from PubChem (CID 8506530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).