2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide

C19H23N3O4S — CID 27521411

IUPAC2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-19(2,3)15-6-10-17(11-7-15)27(24,25)22-21-12-14-4-8-16(9-5-14)26-13-18(20)23/h4-12,22H,13H2,1-3H3,(H2,20,23)
InChIKeyXWEDBLMXMMBLPX-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.16
Rot. Bonds7

About 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide

2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 27521411) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
PubChem CID27521411
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-19(2,3)15-6-10-17(11-7-15)27(24,25)22-21-12-14-4-8-16(9-5-14)26-13-18(20)23/h4-12,22H,13H2,1-3H3,(H2,20,23)
InChIKeyXWEDBLMXMMBLPX-UHFFFAOYSA-N
XLogP2.16
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
CID 6064390
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
2-[4-[(Z)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9466108
4-methoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzenesulfonamide
CID 17338078
2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6368055
2-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]acetate
CID 6978471
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2353273

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide (CID 27521411) is 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide is CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is XWEDBLMXMMBLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-19(2,3)15-6-10-17(11-7-15)27(24,25)22-21-12-14-4-8-16(9-5-14)26-13-18(20)23/h4-12,22H,13H2,1-3H3,(H2,20,23).
What are the key properties of 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide?
2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-tert-butylphenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 27521411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).