4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide

C20H24N2O4S — CID 8617546

IUPAC4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16(2)12-14-26-19-10-8-18(9-11-19)20(23)21-22-27(24,25)15-13-17-6-4-3-5-7-17/h3-11,13,15-16,22H,12,14H2,1-2H3,(H,21,23)/b15-13+
InChIKeySENHBNVISQKXPM-FYWRMAATSA-N
MW388.49 g/mol
LogP3.35
Rot. Bonds9

About 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide

4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide (PubChem CID 8617546) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
PubChem CID8617546
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16(2)12-14-26-19-10-8-18(9-11-19)20(23)21-22-27(24,25)15-13-17-6-4-3-5-7-17/h3-11,13,15-16,22H,12,14H2,1-2H3,(H,21,23)/b15-13+
InChIKeySENHBNVISQKXPM-FYWRMAATSA-N
XLogP3.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.35
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

4-(phenoxymethyl)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide
CID 8504810
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953226
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide
CID 17195627
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
The IUPAC name of 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide (CID 8617546) is 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide.
What is the SMILES notation for 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
The canonical SMILES for 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide is CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
The InChIKey is SENHBNVISQKXPM-FYWRMAATSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16(2)12-14-26-19-10-8-18(9-11-19)20(23)21-22-27(24,25)15-13-17-6-4-3-5-7-17/h3-11,13,15-16,22H,12,14H2,1-2H3,(H,21,23)/b15-13+.
What are the key properties of 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide?
4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide has a molecular weight of 388.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N'-[(E)-2-phenylethenyl]sulfonylbenzohydrazide is sourced from PubChem (CID 8617546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).