N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide

C26H28N2O5S — CID 24624385

IUPACN'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NNC(=O)c3ccccc3S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-26(2,3)20-13-15-21(16-14-20)33-17-18-9-11-19(12-10-18)24(29)27-28-25(30)22-7-5-6-8-23(22)34(4,31)32/h5-16H,17H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyCQEAVKWOHQUZEV-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.04
Rot. Bonds6

About N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide

N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide (PubChem CID 24624385) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide
PubChem CID24624385
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC NameN'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NNC(=O)c3ccccc3S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-26(2,3)20-13-15-21(16-14-20)33-17-18-9-11-19(12-10-18)24(29)27-28-25(30)22-7-5-6-8-23(22)34(4,31)32/h5-16H,17H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyCQEAVKWOHQUZEV-UHFFFAOYSA-N
XLogP4.04
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.04
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

N-[2-(4-tert-butylphenoxy)ethyl]-2-methylsulfonylbenzamide
CID 31308822
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
1-(benzenesulfonyl)-4-[(4-tert-butylphenoxy)methyl]benzene
CID 2948852
N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide
CID 39905521
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
4-[(4-tert-butylphenoxy)methyl]-N-[1-(2-fluorophenyl)ethylideneamino]benzamide
CID 4240116
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide?
The IUPAC name of N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide (CID 24624385) is N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide is CC(C)(C)c1ccc(OCc2ccc(C(=O)NNC(=O)c3ccccc3S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide?
The InChIKey is CQEAVKWOHQUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-26(2,3)20-13-15-21(16-14-20)33-17-18-9-11-19(12-10-18)24(29)27-28-25(30)22-7-5-6-8-23(22)34(4,31)32/h5-16H,17H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide?
N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide has a molecular weight of 480.59 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide is sourced from PubChem (CID 24624385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).