2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide

C20H20N2O4S — CID 8614803

IUPAC2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
SMILESCCc1ccc(OCC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-15-7-10-18(11-8-15)26-14-20(23)21-22-27(24,25)19-12-9-16-5-3-4-6-17(16)13-19/h3-13,22H,2,14H2,1H3,(H,21,23)
InChIKeyVDRLQPAJJMKVBK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.79
Rot. Bonds7

About 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide

2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide (PubChem CID 8614803) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
PubChem CID8614803
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide
SMILESCCc1ccc(OCC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O4S/c1-2-15-7-10-18(11-8-15)26-14-20(23)21-22-27(24,25)19-12-9-16-5-3-4-6-17(16)13-19/h3-13,22H,2,14H2,1H3,(H,21,23)
InChIKeyVDRLQPAJJMKVBK-UHFFFAOYSA-N
XLogP2.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-difluorophenyl)sulfonyl-2-(4-ethylphenoxy)acetohydrazide
CID 8614849
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
2-(4-ethylphenoxy)-N'-(2-nitrophenyl)sulfonylacetohydrazide
CID 3374896
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
N'-(benzenesulfonyl)-2-(4-phenylmethoxyphenoxy)acetohydrazide
CID 26982271
2-(4-chlorophenoxy)-N'-(4-propylphenyl)sulfonylacetohydrazide
CID 8615109
N'-(4-ethoxyphenyl)sulfonyl-2-phenylacetohydrazide
CID 7974595
3-(benzenesulfonyl)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9472102
N'-(benzenesulfonyl)-2-(4-chlorophenoxy)acetohydrazide
CID 905489
N'-(4-ethoxyphenyl)sulfonyl-2-phenylsulfanylacetohydrazide
CID 7478638
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide?
The IUPAC name of 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide (CID 8614803) is 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide?
The canonical SMILES for 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide is CCc1ccc(OCC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide?
The InChIKey is VDRLQPAJJMKVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-15-7-10-18(11-8-15)26-14-20(23)21-22-27(24,25)19-12-9-16-5-3-4-6-17(16)13-19/h3-13,22H,2,14H2,1H3,(H,21,23).
What are the key properties of 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide?
2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide has a molecular weight of 384.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N'-naphthalen-2-ylsulfonylacetohydrazide is sourced from PubChem (CID 8614803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).