1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide

C24H31N3O5S — CID 55771450

IUPAC1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H31N3O5S/c1-2-3-17-33(30,31)27-15-13-20(14-16-27)24(29)26-25-23(28)18-32-22-12-8-7-11-21(22)19-9-5-4-6-10-19/h4-12,20H,2-3,13-18H2,1H3,(H,25,28)(H,26,29)
InChIKeySXYLLMUFIWNMRS-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.72
Rot. Bonds9

About 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide

1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 55771450) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID55771450
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H31N3O5S/c1-2-3-17-33(30,31)27-15-13-20(14-16-27)24(29)26-25-23(28)18-32-22-12-8-7-11-21(22)19-9-5-4-6-10-19/h4-12,20H,2-3,13-18H2,1H3,(H,25,28)(H,26,29)
InChIKeySXYLLMUFIWNMRS-UHFFFAOYSA-N
XLogP2.72
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.72
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-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
1-benzylsulfonyl-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 55691455
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-chlorophenoxy)ethanone
CID 110366193
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
1-(4-butylsulfonylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 108569920
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
N-[2-[[2-(2-phenylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 51153241
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 78771942

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide (CID 55771450) is 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide is CCCCS(=O)(=O)N1CCC(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is SXYLLMUFIWNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-2-3-17-33(30,31)27-15-13-20(14-16-27)24(29)26-25-23(28)18-32-22-12-8-7-11-21(22)19-9-5-4-6-10-19/h4-12,20H,2-3,13-18H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide?
1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 473.60 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N'-[2-(2-phenylphenoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 55771450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).