N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide

C19H22N2O5S — CID 39905521

IUPACN'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-26-15-11-9-14(10-12-15)18(22)20-21-19(23)16-7-5-6-8-17(16)27(24,25)13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUJSDZDUQQDNPKJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.34
Rot. Bonds6

About N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide

N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide (PubChem CID 39905521) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide
PubChem CID39905521
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-26-15-11-9-14(10-12-15)18(22)20-21-19(23)16-7-5-6-8-17(16)27(24,25)13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUJSDZDUQQDNPKJ-UHFFFAOYSA-N
XLogP2.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.34
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'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
2-benzyl-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187389
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
N'-[4-[(4-tert-butylphenoxy)methyl]benzoyl]-2-methylsulfonylbenzohydrazide
CID 24624385
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
4-ethoxy-N'-[(2R)-2-phenylpentanoyl]benzohydrazide
CID 9492761
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
N'-(4-ethoxybenzoyl)-2,4-dimethylbenzohydrazide
CID 7600016
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide (CID 39905521) is N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccccc2S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide?
The InChIKey is UJSDZDUQQDNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-26-15-11-9-14(10-12-15)18(22)20-21-19(23)16-7-5-6-8-17(16)27(24,25)13(2)3/h5-13H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide?
N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide has a molecular weight of 390.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-2-propan-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 39905521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).