4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide

C18H22N2O5S — CID 9238646

IUPAC4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(CC)cc2)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-4-13-6-9-15(10-7-13)26(22,23)20-19-18(21)14-8-11-16(25-5-2)17(12-14)24-3/h6-12,20H,4-5H2,1-3H3,(H,19,21)
InChIKeyZBLMCHJGNVCWCL-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.28
Rot. Bonds8

About 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide

4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide (PubChem CID 9238646) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
PubChem CID9238646
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(CC)cc2)cc1OC
InChIInChI=1S/C18H22N2O5S/c1-4-13-6-9-15(10-7-13)26(22,23)20-19-18(21)14-8-11-16(25-5-2)17(12-14)24-3/h6-12,20H,4-5H2,1-3H3,(H,19,21)
InChIKeyZBLMCHJGNVCWCL-UHFFFAOYSA-N
XLogP2.28
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.28
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-cyanophenyl)sulfonyl-3,4-dimethoxybenzohydrazide
CID 8523714
4-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide
CID 33316587
1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea
CID 8683261
3-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)sulfonylpropanehydrazide
CID 9243942
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
CID 55447326
N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523716
N'-(4-cyanophenyl)sulfonyl-3,4,5-triethoxybenzohydrazide
CID 26980395
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide?
The IUPAC name of 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide (CID 9238646) is 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide?
The canonical SMILES for 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(CC)cc2)cc1OC.
What is the InChIKey of 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide?
The InChIKey is ZBLMCHJGNVCWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-13-6-9-15(10-7-13)26(22,23)20-19-18(21)14-8-11-16(25-5-2)17(12-14)24-3/h6-12,20H,4-5H2,1-3H3,(H,19,21).
What are the key properties of 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide?
4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide has a molecular weight of 378.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-(4-ethylphenyl)sulfonyl-3-methoxybenzohydrazide is sourced from PubChem (CID 9238646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).