1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide

C18H21N3O4S — CID 67665143

IUPAC1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide
SMILESCC(=O)N1CCCCC1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)21-11-5-4-8-17(21)18(23)19-20-26(24,25)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12,17,20H,4-5,8,11H2,1H3,(H,19,23)
InChIKeyGSNGJBJXCDLODV-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.55
Rot. Bonds4

About 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide

1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide (PubChem CID 67665143) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide.

Molecular Properties

Compound Name1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide
PubChem CID67665143
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide
SMILESCC(=O)N1CCCCC1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O4S/c1-13(22)21-11-5-4-8-17(21)18(23)19-20-26(24,25)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12,17,20H,4-5,8,11H2,1H3,(H,19,23)
InChIKeyGSNGJBJXCDLODV-UHFFFAOYSA-N
XLogP1.55
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.55
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

(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2S)-1-acetyl-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97227605
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 71475860
(2S)-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366041
4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622
1-cyclohexyl-3-naphthalen-2-ylsulfonylurea
CID 163441997
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-sulfonamide
CID 119468452
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
1-[(2S)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperidine-2-carboxylic acid
CID 67912511
1-acetyl-N-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 132771327

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide?
The IUPAC name of 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide (CID 67665143) is 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide.
What is the SMILES notation for 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide?
The canonical SMILES for 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide is CC(=O)N1CCCCC1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide?
The InChIKey is GSNGJBJXCDLODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(22)21-11-5-4-8-17(21)18(23)19-20-26(24,25)16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12,17,20H,4-5,8,11H2,1H3,(H,19,23).
What are the key properties of 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide?
1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide has a molecular weight of 375.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N'-naphthalen-2-ylsulfonylpiperidine-2-carbohydrazide is sourced from PubChem (CID 67665143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).