4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide

C24H24N2O4S — CID 78888892

IUPAC4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-3-18-6-10-20(11-7-18)23(27)25-26-24(28)21-12-8-19(9-13-21)16-31(29,30)22-14-4-17(2)5-15-22/h4-15H,3,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKIRTVHXLSFLRPR-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.61
Rot. Bonds6

About 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide

4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide (PubChem CID 78888892) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
PubChem CID78888892
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H24N2O4S/c1-3-18-6-10-20(11-7-18)23(27)25-26-24(28)21-12-8-19(9-13-21)16-31(29,30)22-14-4-17(2)5-15-22/h4-15H,3,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyKIRTVHXLSFLRPR-UHFFFAOYSA-N
XLogP3.61
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.61
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-[(4-methylphenyl)methylsulfonyl]benzoic acid
CID 24705378
3-[[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]amino]butanoic acid
CID 119220917
N-[(2R)-2-(ethylamino)propyl]-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 120654941
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 78889210
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 6456700
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
2-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]acetic acid
CID 105345550
N-(1-amino-2,3-dimethylbutan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide;hydrochloride
CID 119605692
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
3-[ethyl-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]amino]propanoic acid
CID 119191122

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide (CID 78888892) is 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide?
The InChIKey is KIRTVHXLSFLRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-3-18-6-10-20(11-7-18)23(27)25-26-24(28)21-12-8-19(9-13-21)16-31(29,30)22-14-4-17(2)5-15-22/h4-15H,3,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide?
4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide has a molecular weight of 436.53 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide is sourced from PubChem (CID 78888892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).