N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide

C19H26N4O5S — CID 46462964

IUPACN-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C19H26N4O5S/c1-12-3-6-16(11-13(12)2)29(27,28)23-9-7-14(8-10-23)17(24)21-22-19(26)18(25)20-15-4-5-15/h3,6,11,14-15H,4-5,7-10H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyUMYKGYZLZHHCHD-UHFFFAOYSA-N
MW422.51 g/mol
LogP0.13
Rot. Bonds4

About N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide (PubChem CID 46462964) has the molecular formula C19H26N4O5S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide
PubChem CID46462964
Molecular FormulaC19H26N4O5S
Molecular Weight422.51 g/mol
Exact Mass422.16
IUPAC NameN-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C19H26N4O5S/c1-12-3-6-16(11-13(12)2)29(27,28)23-9-7-14(8-10-23)17(24)21-22-19(26)18(25)20-15-4-5-15/h3,6,11,14-15H,4-5,7-10H2,1-2H3,(H,20,25)(H,21,24)(H,22,26)
InChIKeyUMYKGYZLZHHCHD-UHFFFAOYSA-N
XLogP0.13
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N'-(2-bromobenzoyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 4807992
1-(3,4-dimethylphenyl)sulfonyl-N'-(2-fluorobenzoyl)piperidine-4-carbohydrazide
CID 26893734
1-(3,4-dimethylphenyl)sulfonyl-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
CID 26656689
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
1-(3,4-dimethylphenyl)sulfonyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 51185436
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4-dioxoimidazolidin-1-yl)piperidine-4-carboxamide
CID 32905464
N-(2-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067539

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide (CID 46462964) is N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)C(=O)NC3CC3)CC2)cc1C.
What is the InChIKey of N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is UMYKGYZLZHHCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5S/c1-12-3-6-16(11-13(12)2)29(27,28)23-9-7-14(8-10-23)17(24)21-22-19(26)18(25)20-15-4-5-15/h3,6,11,14-15H,4-5,7-10H2,1-2H3,(H,20,25)(H,21,24)(H,22,26).
What are the key properties of N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 422.51 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 46462964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).