N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide

C23H29N3O4S — CID 55349850

IUPACN'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-15-13-17(3)21(18(4)14-15)31(29,30)26-11-9-19(10-12-26)22(27)24-25-23(28)20-8-6-5-7-16(20)2/h5-8,13-14,19H,9-12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyJQNJFDJBFJZBGP-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.78
Rot. Bonds4

About N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide

N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 55349850) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID55349850
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C23H29N3O4S/c1-15-13-17(3)21(18(4)14-15)31(29,30)26-11-9-19(10-12-26)22(27)24-25-23(28)20-8-6-5-7-16(20)2/h5-8,13-14,19H,9-12H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyJQNJFDJBFJZBGP-UHFFFAOYSA-N
XLogP2.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.78
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

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
CID 46807195
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
CID 82121687
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
N-(pyridin-2-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27554188
N-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26253473
N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26532730
N-[4-(pyrrolidine-1-carbonyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24655369
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
N-(5-fluoro-2-methylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26410449
N-[(1-phenylpyrrolidin-3-yl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46403152

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide (CID 55349850) is N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3C)CC2)c(C)c1.
What is the InChIKey of N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is JQNJFDJBFJZBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-15-13-17(3)21(18(4)14-15)31(29,30)26-11-9-19(10-12-26)22(27)24-25-23(28)20-8-6-5-7-16(20)2/h5-8,13-14,19H,9-12H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide?
N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 443.57 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 55349850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).